3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide

C12H15Cl2N3O2 — CID 64929672

IUPAC3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c13-10-5-8(11(14)17-16-10)12(19)15-6-7-3-1-2-4-9(7)18/h5,7,9,18H,1-4,6H2,(H,15,19)
InChIKeyLPXLJLRKFCRLOJ-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.06
Rot. Bonds3

About 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide

3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide (PubChem CID 64929672) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
PubChem CID64929672
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c13-10-5-8(11(14)17-16-10)12(19)15-6-7-3-1-2-4-9(7)18/h5,7,9,18H,1-4,6H2,(H,15,19)
InChIKeyLPXLJLRKFCRLOJ-UHFFFAOYSA-N
XLogP2.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-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

2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 106993969
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
CID 110027707
3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide
CID 119137849
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99701691
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide (CID 64929672) is 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide is O=C(NCC1CCCCC1O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide?
The InChIKey is LPXLJLRKFCRLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c13-10-5-8(11(14)17-16-10)12(19)15-6-7-3-1-2-4-9(7)18/h5,7,9,18H,1-4,6H2,(H,15,19).
What are the key properties of 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide has a molecular weight of 304.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 64929672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).