6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide

C12H16ClN3O2 — CID 114146608

IUPAC6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c13-11-6-5-10(15-16-11)12(18)14-7-8-1-3-9(17)4-2-8/h5-6,8-9,17H,1-4,7H2,(H,14,18)
InChIKeyCCFBVRGVRRSUMO-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.41
Rot. Bonds3

About 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide

6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide (PubChem CID 114146608) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
PubChem CID114146608
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c13-11-6-5-10(15-16-11)12(18)14-7-8-1-3-9(17)4-2-8/h5-6,8-9,17H,1-4,7H2,(H,14,18)
InChIKeyCCFBVRGVRRSUMO-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-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
CID 61216005
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
CID 79357896
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051
N-(cyclopropylmethyl)pyridazine-3-carboxamide
CID 158437543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide (CID 114146608) is 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide is O=C(NCC1CCC(O)CC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
The InChIKey is CCFBVRGVRRSUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-6-5-10(15-16-11)12(18)14-7-8-1-3-9(17)4-2-8/h5-6,8-9,17H,1-4,7H2,(H,14,18).
What are the key properties of 6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide?
6-chloro-N-[(4-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-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 114146608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).