N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide

C17H24N4O — CID 60552910

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C17H24N4O/c1-3-4-5-6-7-11-16(22)19-15-10-8-9-14(12-15)17-18-13(2)20-21-17/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyFWIKORSSNKLBLV-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.08
Rot. Bonds8

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide (PubChem CID 60552910) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
PubChem CID60552910
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C17H24N4O/c1-3-4-5-6-7-11-16(22)19-15-10-8-9-14(12-15)17-18-13(2)20-21-17/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyFWIKORSSNKLBLV-UHFFFAOYSA-N
XLogP4.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
N-heptyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935756
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 87041917
4-chloro-N-[3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]benzamide
CID 55825029
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
2-(3-ethylazetidin-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 166253099
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide (CID 60552910) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide is CCCCCCCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide?
The InChIKey is FWIKORSSNKLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-4-5-6-7-11-16(22)19-15-10-8-9-14(12-15)17-18-13(2)20-21-17/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide has a molecular weight of 300.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide is sourced from PubChem (CID 60552910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).