N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide

C13H16N4O2 — CID 11086498

IUPACN,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnnn1-c1ccccc1O
InChIInChI=1S/C13H16N4O2/c1-3-16(4-2)13(19)11-9-14-15-17(11)10-7-5-6-8-12(10)18/h5-9,18H,3-4H2,1-2H3
InChIKeyOTZNUTMZFKRGBR-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.45
Rot. Bonds4

About N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide

N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide (PubChem CID 11086498) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide
PubChem CID11086498
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnnn1-c1ccccc1O
InChIInChI=1S/C13H16N4O2/c1-3-16(4-2)13(19)11-9-14-15-17(11)10-7-5-6-8-12(10)18/h5-9,18H,3-4H2,1-2H3
InChIKeyOTZNUTMZFKRGBR-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide (CID 11086498) is N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide is CCN(CC)C(=O)c1cnnn1-c1ccccc1O.
What is the InChIKey of N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide?
The InChIKey is OTZNUTMZFKRGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-16(4-2)13(19)11-9-14-15-17(11)10-7-5-6-8-12(10)18/h5-9,18H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide?
N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-hydroxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 11086498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).