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

C12H13ClN4O2 — CID 107681627

IUPACN-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2ccc(O)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-2-3-10-15-11(17-16-10)12(19)14-7-4-5-9(18)8(13)6-7/h4-6,18H,2-3H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyQDLGRUOAKXQQDT-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.37
Rot. Bonds4

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

N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107681627) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107681627
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2ccc(O)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-2-3-10-15-11(17-16-10)12(19)14-7-4-5-9(18)8(13)6-7/h4-6,18H,2-3H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyQDLGRUOAKXQQDT-UHFFFAOYSA-N
XLogP2.37
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.37
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-methoxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82861102
N-(3-chloro-4-hydroxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 107681626
N-(3-fluoro-5-nitrophenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107335528
N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 104621207
N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 82858724
4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208712
N-(3-chloro-4-nitrophenyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 82865928
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107593512
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 107681627) is N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)Nc2ccc(O)c(Cl)c2)n[nH]1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is QDLGRUOAKXQQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-2-3-10-15-11(17-16-10)12(19)14-7-4-5-9(18)8(13)6-7/h4-6,18H,2-3H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 2.37, 4 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-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107681627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).