6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one

C19H25N5O — CID 126934872

IUPAC6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3cc4c(nn3)CCCC4)CC2)n1
InChIInChI=1S/C19H25N5O/c1-13-6-11-19(25)24(23-13)16-9-7-15(8-10-16)20-18-12-14-4-2-3-5-17(14)21-22-18/h6,11-12,15-16H,2-5,7-10H2,1H3,(H,20,22)
InChIKeyMDLFPLDAOSUJJC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.82
Rot. Bonds3

About 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one

6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934872) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934872
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3cc4c(nn3)CCCC4)CC2)n1
InChIInChI=1S/C19H25N5O/c1-13-6-11-19(25)24(23-13)16-9-7-15(8-10-16)20-18-12-14-4-2-3-5-17(14)21-22-18/h6,11-12,15-16H,2-5,7-10H2,1H3,(H,20,22)
InChIKeyMDLFPLDAOSUJJC-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937273
2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935733
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935253
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708
6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one
CID 126934688
2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935460
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935391
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126937103
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935839
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one (CID 126934872) is 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one is Cc1ccc(=O)n(C2CCC(Nc3cc4c(nn3)CCCC4)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is MDLFPLDAOSUJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-6-11-19(25)24(23-13)16-9-7-15(8-10-16)20-18-12-14-4-2-3-5-17(14)21-22-18/h6,11-12,15-16H,2-5,7-10H2,1H3,(H,20,22).
What are the key properties of 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one?
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 339.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).