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

C10H17N5O — CID 63831765

IUPAC3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(CNC(=O)c2nc(N)n[nH]2)CCCC1
InChIInChI=1S/C10H17N5O/c1-10(4-2-3-5-10)6-12-8(16)7-13-9(11)15-14-7/h2-6H2,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeyABALKKTTWYZLKY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.70
Rot. Bonds3

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

3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 63831765) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID63831765
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(CNC(=O)c2nc(N)n[nH]2)CCCC1
InChIInChI=1S/C10H17N5O/c1-10(4-2-3-5-10)6-12-8(16)7-13-9(11)15-14-7/h2-6H2,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeyABALKKTTWYZLKY-UHFFFAOYSA-N
XLogP0.70
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 63831765) is 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide is CC1(CNC(=O)c2nc(N)n[nH]2)CCCC1.
What is the InChIKey of 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ABALKKTTWYZLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(4-2-3-5-10)6-12-8(16)7-13-9(11)15-14-7/h2-6H2,1H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 63831765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).