2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide

C10H17N5O — CID 61364956

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide
SMILESCC1(NC(=O)Cn2cnc(N)n2)CCCC1
InChIInChI=1S/C10H17N5O/c1-10(4-2-3-5-10)13-8(16)6-15-7-12-9(11)14-15/h7H,2-6H2,1H3,(H2,11,14)(H,13,16)
InChIKeyXODGBSHHXCYAQK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.31
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide (PubChem CID 61364956) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide
PubChem CID61364956
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide
SMILESCC1(NC(=O)Cn2cnc(N)n2)CCCC1
InChIInChI=1S/C10H17N5O/c1-10(4-2-3-5-10)13-8(16)6-15-7-12-9(11)14-15/h7H,2-6H2,1H3,(H2,11,14)(H,13,16)
InChIKeyXODGBSHHXCYAQK-UHFFFAOYSA-N
XLogP0.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide (CID 61364956) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide is CC1(NC(=O)Cn2cnc(N)n2)CCCC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide?
The InChIKey is XODGBSHHXCYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(4-2-3-5-10)13-8(16)6-15-7-12-9(11)14-15/h7H,2-6H2,1H3,(H2,11,14)(H,13,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide is sourced from PubChem (CID 61364956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).