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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Related Compounds

2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 62950155
2-(3-carbamothioyl-1,2,4-triazol-1-yl)-N-pentan-2-ylacetamide
CID 62950721
methyl 4-amino-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrazole-3-carboxylate
CID 107344698
N-butan-2-yl-2-(3-carbamothioyl-1,2,4-triazol-1-yl)acetamide
CID 62950345
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64629370
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 105359769
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
CID 79775490
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 718152
4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide
CID 63891899

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).