6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide

C12H8ClN7O — CID 61217247

IUPAC6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)c1ccc(Cl)nn1
InChIInChI=1S/C12H8ClN7O/c13-10-4-3-9(18-19-10)12(21)17-8-2-1-5-15-11(8)20-7-14-6-16-20/h1-7H,(H,17,21)
InChIKeyONPLYWMAJUOKBJ-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.36
Rot. Bonds3

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

6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide (PubChem CID 61217247) has the molecular formula C12H8ClN7O and a molecular weight of 301.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
PubChem CID61217247
Molecular FormulaC12H8ClN7O
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)c1ccc(Cl)nn1
InChIInChI=1S/C12H8ClN7O/c13-10-4-3-9(18-19-10)12(21)17-8-2-1-5-15-11(8)20-7-14-6-16-20/h1-7H,(H,17,21)
InChIKeyONPLYWMAJUOKBJ-UHFFFAOYSA-N
XLogP1.36
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide
CID 61170515
2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 51098015
6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 61041740
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139
4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 61166742
6-chloro-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 54927074
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide (CID 61217247) is 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide is O=C(Nc1cccnc1-n1cncn1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide?
The InChIKey is ONPLYWMAJUOKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN7O/c13-10-4-3-9(18-19-10)12(21)17-8-2-1-5-15-11(8)20-7-14-6-16-20/h1-7H,(H,17,21).
What are the key properties of 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide?
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide has a molecular weight of 301.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61217247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).