4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide

C14H18N4O2 — CID 79205206

IUPAC4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
SMILESCC(O)CCC(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C14H18N4O2/c1-11(19)5-6-14(20)17-13-4-2-3-12(7-13)8-18-10-15-9-16-18/h2-4,7,9-11,19H,5-6,8H2,1H3,(H,17,20)
InChIKeyHPMJQCMHJFTRPW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.43
Rot. Bonds6

About 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide

4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 79205206) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
PubChem CID79205206
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
SMILESCC(O)CCC(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C14H18N4O2/c1-11(19)5-6-14(20)17-13-4-2-3-12(7-13)8-18-10-15-9-16-18/h2-4,7,9-11,19H,5-6,8H2,1H3,(H,17,20)
InChIKeyHPMJQCMHJFTRPW-UHFFFAOYSA-N
XLogP1.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119852264
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62853447
(2S)-2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 79024231
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
2-[2-(methanesulfonamido)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 75463300
N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43601866
N-(4-methylpentan-2-yl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866327
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide (CID 79205206) is 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide is CC(O)CCC(=O)Nc1cccc(Cn2cncn2)c1.
What is the InChIKey of 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is HPMJQCMHJFTRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(19)5-6-14(20)17-13-4-2-3-12(7-13)8-18-10-15-9-16-18/h2-4,7,9-11,19H,5-6,8H2,1H3,(H,17,20).
What are the key properties of 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide has a molecular weight of 274.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 79205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).