2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide

C10H19N5O — CID 62949978

IUPAC2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cnc(CN)n1
InChIInChI=1S/C10H19N5O/c1-3-4-8(2)13-10(16)6-15-7-12-9(5-11)14-15/h7-8H,3-6,11H2,1-2H3,(H,13,16)
InChIKeyQZIBSWAVMCKHCR-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.04
Rot. Bonds6

About 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide

2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 62949978) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide
PubChem CID62949978
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cnc(CN)n1
InChIInChI=1S/C10H19N5O/c1-3-4-8(2)13-10(16)6-15-7-12-9(5-11)14-15/h7-8H,3-6,11H2,1-2H3,(H,13,16)
InChIKeyQZIBSWAVMCKHCR-UHFFFAOYSA-N
XLogP0.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide (CID 62949978) is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cnc(CN)n1.
What is the InChIKey of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is QZIBSWAVMCKHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-4-8(2)13-10(16)6-15-7-12-9(5-11)14-15/h7-8H,3-6,11H2,1-2H3,(H,13,16).
What are the key properties of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide?
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 225.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 62949978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).