N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

C12H12ClN5O — CID 104624330

IUPACN-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H12ClN5O/c1-3-9-8(6-7(2)15-16-9)12(19)14-11-5-4-10(13)17-18-11/h4-6H,3H2,1-2H3,(H,14,18,19)
InChIKeyUVFUYIWFJWOJJF-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.04
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104624330) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104624330
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC NameN-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H12ClN5O/c1-3-9-8(6-7(2)15-16-9)12(19)14-11-5-4-10(13)17-18-11/h4-6H,3H2,1-2H3,(H,14,18,19)
InChIKeyUVFUYIWFJWOJJF-UHFFFAOYSA-N
XLogP2.04
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623754
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513
6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549
N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 136905898
3-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-6-methylpyridazine-4-carboxamide
CID 104625834
N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624333
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104624330) is N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is UVFUYIWFJWOJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-3-9-8(6-7(2)15-16-9)12(19)14-11-5-4-10(13)17-18-11/h4-6H,3H2,1-2H3,(H,14,18,19).
What are the key properties of N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104624330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).