4-[4-(4-propylphenyl)triazol-1-yl]butanamide

C15H20N4O — CID 137472849

IUPAC4-[4-(4-propylphenyl)triazol-1-yl]butanamide
SMILESCCCc1ccc(-c2cn(CCCC(N)=O)nn2)cc1
InChIInChI=1S/C15H20N4O/c1-2-4-12-6-8-13(9-7-12)14-11-19(18-17-14)10-3-5-15(16)20/h6-9,11H,2-5,10H2,1H3,(H2,16,20)
InChIKeyYEPHOEOIJUMPOV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.16
Rot. Bonds7

About 4-[4-(4-propylphenyl)triazol-1-yl]butanamide

4-[4-(4-propylphenyl)triazol-1-yl]butanamide (PubChem CID 137472849) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[4-(4-propylphenyl)triazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[4-(4-propylphenyl)triazol-1-yl]butanamide
PubChem CID137472849
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[4-(4-propylphenyl)triazol-1-yl]butanamide
SMILESCCCc1ccc(-c2cn(CCCC(N)=O)nn2)cc1
InChIInChI=1S/C15H20N4O/c1-2-4-12-6-8-13(9-7-12)14-11-19(18-17-14)10-3-5-15(16)20/h6-9,11H,2-5,10H2,1H3,(H2,16,20)
InChIKeyYEPHOEOIJUMPOV-UHFFFAOYSA-N
XLogP2.16
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
N-[2-[(2-amino-2-oxoethyl)-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-[3-[4-(4-pentylphenyl)triazol-1-yl]propylamino]acetamide
CID 118055038
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
6-[4-[4-[(2R)-3-hydroxy-6-methyloxan-2-yl]oxyphenyl]triazol-1-yl]hexanamide
CID 164565007
N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide
CID 44585272
methyl 2-[4-[1-[2-(methanesulfonamido)ethyl]triazol-4-yl]phenyl]acetate
CID 166396988
7-[4-[4-[(4-amino-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]triazol-1-yl]-N-hydroxyheptanamide
CID 141482853
methyl 4-[4-[4-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]triazol-1-yl]butyl]benzoate
CID 177372076
1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione
CID 122202328
3-(1-butyltriazol-4-yl)aniline
CID 123699431
3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
CID 86262386
7-[4-[4-[(2R)-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]triazol-1-yl]heptanamide
CID 164565038

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylphenyl)triazol-1-yl]butanamide?
The IUPAC name of 4-[4-(4-propylphenyl)triazol-1-yl]butanamide (CID 137472849) is 4-[4-(4-propylphenyl)triazol-1-yl]butanamide.
What is the SMILES notation for 4-[4-(4-propylphenyl)triazol-1-yl]butanamide?
The canonical SMILES for 4-[4-(4-propylphenyl)triazol-1-yl]butanamide is CCCc1ccc(-c2cn(CCCC(N)=O)nn2)cc1.
What is the InChIKey of 4-[4-(4-propylphenyl)triazol-1-yl]butanamide?
The InChIKey is YEPHOEOIJUMPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-4-12-6-8-13(9-7-12)14-11-19(18-17-14)10-3-5-15(16)20/h6-9,11H,2-5,10H2,1H3,(H2,16,20).
What are the key properties of 4-[4-(4-propylphenyl)triazol-1-yl]butanamide?
4-[4-(4-propylphenyl)triazol-1-yl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylphenyl)triazol-1-yl]butanamide is sourced from PubChem (CID 137472849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).