N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C14H18N4O2 — CID 18161214

IUPACN-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-11(8-20-2)17-14(19)13-5-3-12(4-6-13)7-18-10-15-9-16-18/h3-6,9-11H,7-8H2,1-2H3,(H,17,19)
InChIKeyHGCXNTMMCRADHK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.09
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 18161214) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID18161214
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-11(8-20-2)17-14(19)13-5-3-12(4-6-13)7-18-10-15-9-16-18/h3-6,9-11H,7-8H2,1-2H3,(H,17,19)
InChIKeyHGCXNTMMCRADHK-UHFFFAOYSA-N
XLogP1.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 94116750
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24645556
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 87019914
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35251102
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
1-(1-methoxypropan-2-yl)-1-methyl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 51083986
1-(1-methoxypropan-2-yl)-2-methyl-3-[[2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methyl]guanidine;hydroiodide
CID 111234292
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 126441503
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017973
N-[1-(1-benzofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508806

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 18161214) is N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is COCC(C)NC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is HGCXNTMMCRADHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(8-20-2)17-14(19)13-5-3-12(4-6-13)7-18-10-15-9-16-18/h3-6,9-11H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 18161214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).