6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide

C12H18N4O2 — CID 133495244

IUPAC6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)nn1
InChIInChI=1S/C12H18N4O2/c1-13-12(18)9-6-7-11(16-15-9)14-8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3,(H,13,18)(H,14,16)/t8-,10-/m0/s1
InChIKeyVCYAWROKECBHCW-WPRPVWTQSA-N
MW250.30 g/mol
LogP0.55
Rot. Bonds3

About 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide

6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 133495244) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID133495244
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)nn1
InChIInChI=1S/C12H18N4O2/c1-13-12(18)9-6-7-11(16-15-9)14-8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3,(H,13,18)(H,14,16)/t8-,10-/m0/s1
InChIKeyVCYAWROKECBHCW-WPRPVWTQSA-N
XLogP0.55
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
CID 99848252
N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
CID 133422244
N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
CID 79208062
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133329234
6-[(1-ethylpiperidin-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79210349
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
CID 162636079
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide (CID 133495244) is 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)nn1.
What is the InChIKey of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is VCYAWROKECBHCW-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-12(18)9-6-7-11(16-15-9)14-8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3,(H,13,18)(H,14,16)/t8-,10-/m0/s1.
What are the key properties of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133495244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).