6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide

C13H18ClN3O2 — CID 62551682

IUPAC6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-4-6-13(8-18,7-5-9)15-12(19)10-2-3-11(14)17-16-10/h2-3,9,18H,4-8H2,1H3,(H,15,19)
InChIKeyVYKAZFFJTCNKJI-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.80
Rot. Bonds3

About 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide

6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide (PubChem CID 62551682) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
PubChem CID62551682
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-4-6-13(8-18,7-5-9)15-12(19)10-2-3-11(14)17-16-10/h2-3,9,18H,4-8H2,1H3,(H,15,19)
InChIKeyVYKAZFFJTCNKJI-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618517
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 107097755
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide
CID 79319032
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
CID 104643153
phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
CID 62526000

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide (CID 62551682) is 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide is CC1CCC(CO)(NC(=O)c2ccc(Cl)nn2)CC1.
What is the InChIKey of 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide?
The InChIKey is VYKAZFFJTCNKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-4-6-13(8-18,7-5-9)15-12(19)10-2-3-11(14)17-16-10/h2-3,9,18H,4-8H2,1H3,(H,15,19).
What are the key properties of 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide?
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 62551682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).