N-(4-ethyltriazol-2-yl)-3-methylbenzamide

C12H14N4O — CID 54412249

IUPACN-(4-ethyltriazol-2-yl)-3-methylbenzamide
SMILESCCc1cnn(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C12H14N4O/c1-3-11-8-13-16(14-11)15-12(17)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyMXUIQTBUAQJQBO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.53
Rot. Bonds3

About N-(4-ethyltriazol-2-yl)-3-methylbenzamide

N-(4-ethyltriazol-2-yl)-3-methylbenzamide (PubChem CID 54412249) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-ethyltriazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethyltriazol-2-yl)-3-methylbenzamide
PubChem CID54412249
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(4-ethyltriazol-2-yl)-3-methylbenzamide
SMILESCCc1cnn(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C12H14N4O/c1-3-11-8-13-16(14-11)15-12(17)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyMXUIQTBUAQJQBO-UHFFFAOYSA-N
XLogP1.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-[2-[(5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-3-methylbenzamide
CID 50778529
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
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1-(3-ethyl-1-methylpyrazol-4-yl)-3-(3-methylphenyl)propane-1,3-dione
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CID 166513879

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyltriazol-2-yl)-3-methylbenzamide?
The IUPAC name of N-(4-ethyltriazol-2-yl)-3-methylbenzamide (CID 54412249) is N-(4-ethyltriazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(4-ethyltriazol-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(4-ethyltriazol-2-yl)-3-methylbenzamide is CCc1cnn(NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of N-(4-ethyltriazol-2-yl)-3-methylbenzamide?
The InChIKey is MXUIQTBUAQJQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-11-8-13-16(14-11)15-12(17)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(4-ethyltriazol-2-yl)-3-methylbenzamide?
N-(4-ethyltriazol-2-yl)-3-methylbenzamide has a molecular weight of 230.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyltriazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 54412249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).