1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide

C8H13N5O — CID 98042456

IUPAC1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C[C@H]2CCCN2)nn1
InChIInChI=1S/C8H13N5O/c9-8(14)7-5-13(12-11-7)4-6-2-1-3-10-6/h5-6,10H,1-4H2,(H2,9,14)/t6-/m1/s1
InChIKeyNZOQNECJJBLKEO-ZCFIWIBFSA-N
MW195.23 g/mol
LogP-0.87
Rot. Bonds3

About 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide

1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 98042456) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide
PubChem CID98042456
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C[C@H]2CCCN2)nn1
InChIInChI=1S/C8H13N5O/c9-8(14)7-5-13(12-11-7)4-6-2-1-3-10-6/h5-6,10H,1-4H2,(H2,9,14)/t6-/m1/s1
InChIKeyNZOQNECJJBLKEO-ZCFIWIBFSA-N
XLogP-0.87
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide
CID 138057231
2-[(4-ethyltriazol-1-yl)methyl]piperidine
CID 115019973
3-acetamidopropyl-dimethyl-[[1-[[(2S)-pyrrolidin-2-yl]methyl]triazol-4-yl]methyl]azanium
CID 134959534
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
CID 98042437
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
tert-butyl (2R)-2-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184474
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 154805457
tert-butyl (3R)-3-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184477
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide (CID 98042456) is 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide is NC(=O)c1cn(C[C@H]2CCCN2)nn1.
What is the InChIKey of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is NZOQNECJJBLKEO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N5O/c9-8(14)7-5-13(12-11-7)4-6-2-1-3-10-6/h5-6,10H,1-4H2,(H2,9,14)/t6-/m1/s1.
What are the key properties of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 195.23 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 98042456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).