N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide

C15H18N4O — CID 146124324

IUPACN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1nnc(C)n1C1CC1
InChIInChI=1S/C15H18N4O/c1-3-11-6-4-5-7-13(11)14(20)16-15-18-17-10(2)19(15)12-8-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,18,20)
InChIKeyXNNJJEOPUYTCGL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.74
Rot. Bonds4

About N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide

N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide (PubChem CID 146124324) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide
PubChem CID146124324
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1nnc(C)n1C1CC1
InChIInChI=1S/C15H18N4O/c1-3-11-6-4-5-7-13(11)14(20)16-15-18-17-10(2)19(15)12-8-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,18,20)
InChIKeyXNNJJEOPUYTCGL-UHFFFAOYSA-N
XLogP2.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide
CID 146085705
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 146124332
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-6-methyl-1-benzothiophene-3-carboxamide
CID 132971002
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154798530
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 6971555
(3S,4S)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120965333
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide
CID 75401929
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 8722976
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide?
The IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide (CID 146124324) is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide.
What is the SMILES notation for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide?
The canonical SMILES for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide is CCc1ccccc1C(=O)Nc1nnc(C)n1C1CC1.
What is the InChIKey of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide?
The InChIKey is XNNJJEOPUYTCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-11-6-4-5-7-13(11)14(20)16-15-18-17-10(2)19(15)12-8-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,18,20).
What are the key properties of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide?
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide has a molecular weight of 270.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide is sourced from PubChem (CID 146124324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).