2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide

C10H17N5O — CID 61016829

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(N)n1)C1CCCC1
InChIInChI=1S/C10H17N5O/c1-14(8-4-2-3-5-8)9(16)6-15-7-12-10(11)13-15/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyTWYLCZFEKHQVBL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.26
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide (PubChem CID 61016829) 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-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide
PubChem CID61016829
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(N)n1)C1CCCC1
InChIInChI=1S/C10H17N5O/c1-14(8-4-2-3-5-8)9(16)6-15-7-12-10(11)13-15/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyTWYLCZFEKHQVBL-UHFFFAOYSA-N
XLogP0.26
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
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-cyclopentyl-N-methylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide (CID 61016829) is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide is CN(C(=O)Cn1cnc(N)n1)C1CCCC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide?
The InChIKey is TWYLCZFEKHQVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-14(8-4-2-3-5-8)9(16)6-15-7-12-10(11)13-15/h7-8H,2-6H2,1H3,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 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-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 61016829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).