6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide

C12H16ClN3O2 — CID 114146199

IUPAC6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c13-11-5-4-10(15-16-11)12(18)14-7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2,(H,14,18)
InChIKeyGDSANIFNPWNQJG-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.41
Rot. Bonds3

About 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide

6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide (PubChem CID 114146199) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
PubChem CID114146199
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c13-11-5-4-10(15-16-11)12(18)14-7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2,(H,14,18)
InChIKeyGDSANIFNPWNQJG-UHFFFAOYSA-N
XLogP1.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(3-hydroxycyclopentyl)methyl]pyridazine-3-carboxamide
CID 106120095
6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146608
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
CID 61216005

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide (CID 114146199) is 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide is O=C(NCC1CCCC(O)C1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
The InChIKey is GDSANIFNPWNQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-5-4-10(15-16-11)12(18)14-7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2,(H,14,18).
What are the key properties of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 114146199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).