N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide

C12H11ClN4O2 — CID 107681626

IUPACN-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H11ClN4O2/c13-8-5-7(3-4-9(8)18)14-12(19)11-15-10(16-17-11)6-1-2-6/h3-6,18H,1-2H2,(H,14,19)(H,15,16,17)
InChIKeyKWKPEYQRUGBNTC-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.29
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide

N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107681626) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107681626
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H11ClN4O2/c13-8-5-7(3-4-9(8)18)14-12(19)11-15-10(16-17-11)6-1-2-6/h3-6,18H,1-2H2,(H,14,19)(H,15,16,17)
InChIKeyKWKPEYQRUGBNTC-UHFFFAOYSA-N
XLogP2.29
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 107615426
N-(3-bromo-4-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 104780416
5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide
CID 115378987
N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107681627
3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104739841
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
N-(3-chloro-4-nitrophenyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 82865928
5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide
CID 80547841
5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 107854514
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide (CID 107681626) is N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)c1n[nH]c(C2CC2)n1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is KWKPEYQRUGBNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-8-5-7(3-4-9(8)18)14-12(19)11-15-10(16-17-11)6-1-2-6/h3-6,18H,1-2H2,(H,14,19)(H,15,16,17).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107681626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).