N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C14H11ClN6O2 — CID 71805153

IUPACN-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl
InChIInChI=1S/C14H11ClN6O2/c1-23-12-4-2-9(6-10(12)15)18-14(22)11-3-5-13(20-19-11)21-8-16-7-17-21/h2-8H,1H3,(H,18,22)
InChIKeyJQJAOVKKHKLSTA-UHFFFAOYSA-N
MW330.74 g/mol
LogP1.97
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805153) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805153
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl
InChIInChI=1S/C14H11ClN6O2/c1-23-12-4-2-9(6-10(12)15)18-14(22)11-3-5-13(20-19-11)21-8-16-7-17-21/h2-8H,1H3,(H,18,22)
InChIKeyJQJAOVKKHKLSTA-UHFFFAOYSA-N
XLogP1.97
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805153) is N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is JQJAOVKKHKLSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c1-23-12-4-2-9(6-10(12)15)18-14(22)11-3-5-13(20-19-11)21-8-16-7-17-21/h2-8H,1H3,(H,18,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 330.74 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).