4-ethoxy-N-(2-methyltriazol-4-yl)benzamide

C12H14N4O2 — CID 112535309

IUPAC4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(C)n2)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)12(17)14-11-8-13-16(2)15-11/h4-8H,3H2,1-2H3,(H,14,15,17)
InChIKeyBHSPBPVQGGHOCN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.47
Rot. Bonds4

About 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide

4-ethoxy-N-(2-methyltriazol-4-yl)benzamide (PubChem CID 112535309) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
PubChem CID112535309
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(C)n2)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)12(17)14-11-8-13-16(2)15-11/h4-8H,3H2,1-2H3,(H,14,15,17)
InChIKeyBHSPBPVQGGHOCN-UHFFFAOYSA-N
XLogP1.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-methyltriazol-4-amine
CID 45094498
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280
(4-ethoxyphenyl)-pyrazol-1-ylmethanone
CID 3502430
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybenzamide
CID 925722
4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
2-[4-[(4-ethoxybenzoyl)amino]triazol-1-yl]acetic acid
CID 112534382
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide (CID 112535309) is 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide is CCOc1ccc(C(=O)Nc2cnn(C)n2)cc1.
What is the InChIKey of 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide?
The InChIKey is BHSPBPVQGGHOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)12(17)14-11-8-13-16(2)15-11/h4-8H,3H2,1-2H3,(H,14,15,17).
What are the key properties of 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide?
4-ethoxy-N-(2-methyltriazol-4-yl)benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 112535309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).