2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

C22H23N7O — CID 126937330

IUPAC2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESCc1cc(NC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c2ccccc2n1
InChIInChI=1S/C22H23N7O/c1-15-12-20(18-4-2-3-5-19(18)25-15)26-16-6-8-17(9-7-16)29-22(30)11-10-21(27-29)28-14-23-13-24-28/h2-5,10-14,16-17H,6-9H2,1H3,(H,25,26)
InChIKeyNKKPCPVHLMDUOG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.28
Rot. Bonds4

About 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (PubChem CID 126937330) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
PubChem CID126937330
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESCc1cc(NC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c2ccccc2n1
InChIInChI=1S/C22H23N7O/c1-15-12-20(18-4-2-3-5-19(18)25-15)26-16-6-8-17(9-7-16)29-22(30)11-10-21(27-29)28-14-23-13-24-28/h2-5,10-14,16-17H,6-9H2,1H3,(H,25,26)
InChIKeyNKKPCPVHLMDUOG-UHFFFAOYSA-N
XLogP3.28
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one with MolForge

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Related Compounds

2-[4-(1,3-benzoxazol-2-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937235
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937277
2-[4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937272
2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937252
N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide
CID 126937224
2-[4-(cyclopropylmethylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937259
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937265
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937398
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937273
N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 126937171
2-[4-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937327
5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide
CID 126937172

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (CID 126937330) is 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is Cc1cc(NC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The InChIKey is NKKPCPVHLMDUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-15-12-20(18-4-2-3-5-19(18)25-15)26-16-6-8-17(9-7-16)29-22(30)11-10-21(27-29)28-14-23-13-24-28/h2-5,10-14,16-17H,6-9H2,1H3,(H,25,26).
What are the key properties of 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one has a molecular weight of 401.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126937330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).