2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C16H20N4O — CID 86928588

IUPAC2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H20N4O/c21-16(9-13-3-1-2-4-13)19-15-7-5-14(6-8-15)10-20-12-17-11-18-20/h5-8,11-13H,1-4,9-10H2,(H,19,21)
InChIKeyDNVQQFMVTCGTHG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.85
Rot. Bonds5

About 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 86928588) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID86928588
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H20N4O/c21-16(9-13-3-1-2-4-13)19-15-7-5-14(6-8-15)10-20-12-17-11-18-20/h5-8,11-13H,1-4,9-10H2,(H,19,21)
InChIKeyDNVQQFMVTCGTHG-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 60867982
N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 62071913
3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 119843495
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532
3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119843462
N-[4-(azepan-1-ylmethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 46958365
2-azido-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 46318276
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 86928588) is 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is O=C(CC1CCCC1)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is DNVQQFMVTCGTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(9-13-3-1-2-4-13)19-15-7-5-14(6-8-15)10-20-12-17-11-18-20/h5-8,11-13H,1-4,9-10H2,(H,19,21).
What are the key properties of 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 86928588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).