2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide

C9H17N5O — CID 165480854

IUPAC2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(N)nn1
InChIInChI=1S/C9H17N5O/c1-3-7(4-2)11-9(15)6-14-5-8(10)12-13-14/h5,7H,3-4,6,10H2,1-2H3,(H,11,15)
InChIKeyVLTXDFGCFVEAGZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.17
Rot. Bonds5

About 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide

2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide (PubChem CID 165480854) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
PubChem CID165480854
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(N)nn1
InChIInChI=1S/C9H17N5O/c1-3-7(4-2)11-9(15)6-14-5-8(10)12-13-14/h5,7H,3-4,6,10H2,1-2H3,(H,11,15)
InChIKeyVLTXDFGCFVEAGZ-UHFFFAOYSA-N
XLogP0.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
CID 165479292
2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 107211178
2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 112523866
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
CID 113314205
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
(2S,3R)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 155809964
2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 106188363
2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461255
methyl 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-1,2,4-triazole-3-carboxylate
CID 78955725

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide (CID 165480854) is 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1cc(N)nn1.
What is the InChIKey of 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is VLTXDFGCFVEAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-7(4-2)11-9(15)6-14-5-8(10)12-13-14/h5,7H,3-4,6,10H2,1-2H3,(H,11,15).
What are the key properties of 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide?
2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 211.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 165480854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).