6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide

C12H18N4OS — CID 103715276

IUPAC6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide
SMILESCSC1CCCCC1Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C12H18N4OS/c1-18-10-5-3-2-4-8(10)14-11-7-6-9(12(13)17)15-16-11/h6-8,10H,2-5H2,1H3,(H2,13,17)(H,14,16)
InChIKeyJKDCOPPKIMPIST-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.66
Rot. Bonds4

About 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide

6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide (PubChem CID 103715276) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide
PubChem CID103715276
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide
SMILESCSC1CCCCC1Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C12H18N4OS/c1-18-10-5-3-2-4-8(10)14-11-7-6-9(12(13)17)15-16-11/h6-8,10H,2-5H2,1H3,(H2,13,17)(H,14,16)
InChIKeyJKDCOPPKIMPIST-UHFFFAOYSA-N
XLogP1.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
6-[(2,3-dimethylcyclohexyl)amino]pyridazine-3-carboxamide
CID 79771125
N-(2-methylsulfanylcyclohexyl)pyridazin-3-amine
CID 103703351
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244
5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 114123524
2-chloro-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 114123522
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
5-[(2-methylsulfanylcyclopentyl)amino]pyrazine-2-carbothioamide
CID 114121592
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
6-[(3-methoxycyclohexyl)amino]pyridazine-3-carboxamide
CID 133399457
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
CID 99848252

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide (CID 103715276) is 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide is CSC1CCCCC1Nc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide?
The InChIKey is JKDCOPPKIMPIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-18-10-5-3-2-4-8(10)14-11-7-6-9(12(13)17)15-16-11/h6-8,10H,2-5H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide?
6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 103715276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).