M45

~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine

Created:	2019-10-03
Last modified:	2020-03-04

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1 entries where M45 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	5

2D diagram of M45

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Chemical Component Summary
Name	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
Formula	C₆ H₁₁ N₅
Molecular Weight	153.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C1CN[CH](C1)Nc2[nH]ncn2
SMILES	OpenEye OEToolkits	2.0.7	c1nc([nH]n1)NC2CCCN2
Canonical SMILES	CACTVS	3.385	C1CN[C@H](C1)Nc2[nH]ncn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1nc([nH]n1)N[C@H]2CCCN2
InChI	InChI	1.03	InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1
InChIKey	InChI	1.03	WNMXGGSUOUEZIK-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	145994375

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