1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide

C14H12N6O2 — CID 86998524

IUPAC1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(-n3nccn3)cc2)ccc1=O
InChIInChI=1S/C14H12N6O2/c1-19-13(21)7-6-12(18-19)14(22)17-10-2-4-11(5-3-10)20-15-8-9-16-20/h2-9H,1H3,(H,17,22)
InChIKeyOBDYCLPARIXDLT-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.61
Rot. Bonds3

About 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 86998524) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
PubChem CID86998524
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(-n3nccn3)cc2)ccc1=O
InChIInChI=1S/C14H12N6O2/c1-19-13(21)7-6-12(18-19)14(22)17-10-2-4-11(5-3-10)20-15-8-9-16-20/h2-9H,1H3,(H,17,22)
InChIKeyOBDYCLPARIXDLT-UHFFFAOYSA-N
XLogP0.61
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
5-bromo-N-[4-(triazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62954396
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641
1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 17398568
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71915783

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide (CID 86998524) is 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(-n3nccn3)cc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is OBDYCLPARIXDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-19-13(21)7-6-12(18-19)14(22)17-10-2-4-11(5-3-10)20-15-8-9-16-20/h2-9H,1H3,(H,17,22).
What are the key properties of 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 86998524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).