N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide

C12H12N4O2 — CID 162666833

IUPACN-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C12H12N4O2/c17-10-5-3-9(4-6-10)16-7-11(14-15-16)12(18)13-8-1-2-8/h3-8,17H,1-2H2,(H,13,18)
InChIKeyRHBPVYLURLZSEP-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.87
Rot. Bonds3

About N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide

N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide (PubChem CID 162666833) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide
PubChem CID162666833
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C12H12N4O2/c17-10-5-3-9(4-6-10)16-7-11(14-15-16)12(18)13-8-1-2-8/h3-8,17H,1-2H2,(H,13,18)
InChIKeyRHBPVYLURLZSEP-UHFFFAOYSA-N
XLogP0.87
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide (CID 162666833) is N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide is O=C(NC1CC1)c1cn(-c2ccc(O)cc2)nn1.
What is the InChIKey of N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide?
The InChIKey is RHBPVYLURLZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-10-5-3-9(4-6-10)16-7-11(14-15-16)12(18)13-8-1-2-8/h3-8,17H,1-2H2,(H,13,18).
What are the key properties of N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide?
N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-hydroxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 162666833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).