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

C14H18N4O2 — CID 79204969

IUPAC4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCC(O)CCC(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C14H18N4O2/c1-10(19)6-7-13(20)16-12-5-3-4-11(8-12)14-17-15-9-18(14)2/h3-5,8-10,19H,6-7H2,1-2H3,(H,16,20)
InChIKeyBEXHIXMUBZDJSI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.58
Rot. Bonds5

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

4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (PubChem CID 79204969) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
PubChem CID79204969
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCC(O)CCC(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C14H18N4O2/c1-10(19)6-7-13(20)16-12-5-3-4-11(8-12)14-17-15-9-18(14)2/h3-5,8-10,19H,6-7H2,1-2H3,(H,16,20)
InChIKeyBEXHIXMUBZDJSI-UHFFFAOYSA-N
XLogP1.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80542568
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320
3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 55653308
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (CID 79204969) is 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is CC(O)CCC(=O)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The InChIKey is BEXHIXMUBZDJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(19)6-7-13(20)16-12-5-3-4-11(8-12)14-17-15-9-18(14)2/h3-5,8-10,19H,6-7H2,1-2H3,(H,16,20).
What are the key properties of 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide has a molecular weight of 274.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 79204969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).