3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

C9H16N6O — CID 106026096

IUPAC3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN1CCCC1CNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H16N6O/c1-15-4-2-3-6(15)5-11-8(16)7-12-9(10)14-13-7/h6H,2-5H2,1H3,(H,11,16)(H3,10,12,13,14)
InChIKeyOCSGTBJQNJHHFU-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.79
Rot. Bonds3

About 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 106026096) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID106026096
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN1CCCC1CNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H16N6O/c1-15-4-2-3-6(15)5-11-8(16)7-12-9(10)14-13-7/h6H,2-5H2,1H3,(H,11,16)(H3,10,12,13,14)
InChIKeyOCSGTBJQNJHHFU-UHFFFAOYSA-N
XLogP-0.79
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205
N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 114138265
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 63831765
3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793002
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492
(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 106026096) is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is CN1CCCC1CNC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OCSGTBJQNJHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-15-4-2-3-6(15)5-11-8(16)7-12-9(10)14-13-7/h6H,2-5H2,1H3,(H,11,16)(H3,10,12,13,14).
What are the key properties of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 224.27 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 106026096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).