N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide

C14H18N4O — CID 13201024

IUPACN-phenyl-2-(1,2,4-triazol-1-yl)hexanamide
SMILESCCCCC(C(=O)Nc1ccccc1)n1cncn1
InChIInChI=1S/C14H18N4O/c1-2-3-9-13(18-11-15-10-16-18)14(19)17-12-7-5-4-6-8-12/h4-8,10-11,13H,2-3,9H2,1H3,(H,17,19)
InChIKeyAKKLHLLWAAUGLR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds6

About N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide

N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide (PubChem CID 13201024) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide.

Molecular Properties

Compound NameN-phenyl-2-(1,2,4-triazol-1-yl)hexanamide
PubChem CID13201024
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-phenyl-2-(1,2,4-triazol-1-yl)hexanamide
SMILESCCCCC(C(=O)Nc1ccccc1)n1cncn1
InChIInChI=1S/C14H18N4O/c1-2-3-9-13(18-11-15-10-16-18)14(19)17-12-7-5-4-6-8-12/h4-8,10-11,13H,2-3,9H2,1H3,(H,17,19)
InChIKeyAKKLHLLWAAUGLR-UHFFFAOYSA-N
XLogP2.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1,2,4-triazol-1-yl)pentan-1-one
CID 666101
(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
CID 39730515
(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213174
2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877
2-methyl-N-phenylpentanamide
CID 4627801
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
2-tert-butyl-N-phenylheptanamide
CID 67683128
2-phenoxy-N-phenylhexanamide
CID 70624716
(1-anilino-1-oxohexan-2-yl) acetate
CID 134107020
3-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 115339337
2-bromo-N-phenylpentanamide
CID 56980184
9-(2-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)nonan-3-one
CID 91430359

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide?
The IUPAC name of N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide (CID 13201024) is N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide.
What is the SMILES notation for N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide?
The canonical SMILES for N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide is CCCCC(C(=O)Nc1ccccc1)n1cncn1.
What is the InChIKey of N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide?
The InChIKey is AKKLHLLWAAUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-3-9-13(18-11-15-10-16-18)14(19)17-12-7-5-4-6-8-12/h4-8,10-11,13H,2-3,9H2,1H3,(H,17,19).
What are the key properties of N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide?
N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide has a molecular weight of 258.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide is sourced from PubChem (CID 13201024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).