8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide

C13H18N6O — CID 67965583

IUPAC8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide
SMILESCC1CCCCC1Nc1c(C(N)=O)cnn2cnnc12
InChIInChI=1S/C13H18N6O/c1-8-4-2-3-5-10(8)17-11-9(12(14)20)6-16-19-7-15-18-13(11)19/h6-8,10,17H,2-5H2,1H3,(H2,14,20)
InChIKeyUQDVEIDEPXARSG-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.21
Rot. Bonds3

About 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide

8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide (PubChem CID 67965583) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide
PubChem CID67965583
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide
SMILESCC1CCCCC1Nc1c(C(N)=O)cnn2cnnc12
InChIInChI=1S/C13H18N6O/c1-8-4-2-3-5-10(8)17-11-9(12(14)20)6-16-19-7-15-18-13(11)19/h6-8,10,17H,2-5H2,1H3,(H2,14,20)
InChIKeyUQDVEIDEPXARSG-UHFFFAOYSA-N
XLogP1.21
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914486
7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 67965614
8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid
CID 67966561
4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
CID 88535208
6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123502961
4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123211961
4-[(2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123397603
7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
CID 88534723
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
4-[(2,3-dimethylcyclopentyl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123839186

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide?
The IUPAC name of 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide (CID 67965583) is 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide.
What is the SMILES notation for 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide?
The canonical SMILES for 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide is CC1CCCCC1Nc1c(C(N)=O)cnn2cnnc12.
What is the InChIKey of 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide?
The InChIKey is UQDVEIDEPXARSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-4-2-3-5-10(8)17-11-9(12(14)20)6-16-19-7-15-18-13(11)19/h6-8,10,17H,2-5H2,1H3,(H2,14,20).
What are the key properties of 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide?
8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide is sourced from PubChem (CID 67965583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).