N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide

C12H14N4O2 — CID 110691761

IUPACN-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-12(17)11-8(2)14-16-15-11/h4-7H,3H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyCDCVXMLYFWEPKN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.76
Rot. Bonds4

About N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide

N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide (PubChem CID 110691761) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
PubChem CID110691761
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-12(17)11-8(2)14-16-15-11/h4-7H,3H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyCDCVXMLYFWEPKN-UHFFFAOYSA-N
XLogP1.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide (CID 110691761) is N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide is CCOc1ccc(NC(=O)c2n[nH]nc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is CDCVXMLYFWEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-12(17)11-8(2)14-16-15-11/h4-7H,3H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).