N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide

C13H16N4O2 — CID 111433796

IUPACN-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(O)CCNC(=O)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C13H16N4O2/c1-10(18)6-7-14-13(19)11-2-4-12(5-3-11)17-8-15-16-9-17/h2-5,8-10,18H,6-7H2,1H3,(H,14,19)
InChIKeyDBYRUVFACLZWGN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.77
Rot. Bonds5

About N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide

N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 111433796) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID111433796
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(O)CCNC(=O)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C13H16N4O2/c1-10(18)6-7-14-13(19)11-2-4-12(5-3-11)17-8-15-16-9-17/h2-5,8-10,18H,6-7H2,1H3,(H,14,19)
InChIKeyDBYRUVFACLZWGN-UHFFFAOYSA-N
XLogP0.77
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111485349
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
4-(difluoromethylsulfanyl)-N-(3-hydroxybutyl)benzamide
CID 111429189
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 99952139
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
CID 64911371
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
1-(4-chlorophenyl)-N-(3-hydroxybutyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 111433492
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 111433796) is N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide is CC(O)CCNC(=O)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is DBYRUVFACLZWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10(18)6-7-14-13(19)11-2-4-12(5-3-11)17-8-15-16-9-17/h2-5,8-10,18H,6-7H2,1H3,(H,14,19).
What are the key properties of N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide?
N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 111433796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).