6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide

C12H18N4O2 — CID 103715279

IUPAC6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCCC(O)C2)nn1
InChIInChI=1S/C12H18N4O2/c13-12(18)10-4-5-11(16-15-10)14-7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2,(H2,13,18)(H,14,16)
InChIKeyJZLNFWBSYLHFPI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds4

About 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide

6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide (PubChem CID 103715279) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide
PubChem CID103715279
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCCC(O)C2)nn1
InChIInChI=1S/C12H18N4O2/c13-12(18)10-4-5-11(16-15-10)14-7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2,(H2,13,18)(H,14,16)
InChIKeyJZLNFWBSYLHFPI-UHFFFAOYSA-N
XLogP0.54
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-aminopyridazin-3-yl)amino]methyl]cyclopentan-1-ol
CID 106137884
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
6-(3-cyclopropylpropylamino)pyridazine-3-carboxamide
CID 115667673
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
CID 106119994
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
6-[(3-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103578031
4-[(3-hydroxycyclohexyl)methylamino]-3-nitrobenzamide
CID 103703416
2-[(3-hydroxycyclohexyl)methylamino]-5-nitropyridine-4-carboxylic acid
CID 106136562
1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
CID 106119986
3-[[(6-methylpyridazin-3-yl)amino]methyl]cyclobutan-1-ol
CID 66005697

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide (CID 103715279) is 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide is NC(=O)c1ccc(NCC2CCCC(O)C2)nn1.
What is the InChIKey of 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is JZLNFWBSYLHFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-12(18)10-4-5-11(16-15-10)14-7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2,(H2,13,18)(H,14,16).
What are the key properties of 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide?
6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 103715279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).