2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

C22H31N5O — CID 126935733

IUPAC2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC(C)(C)c1ccc(NC2CCC(n3nc4c(cc3=O)CCCC4)CC2)nn1
InChIInChI=1S/C22H31N5O/c1-22(2,3)19-12-13-20(25-24-19)23-16-8-10-17(11-9-16)27-21(28)14-15-6-4-5-7-18(15)26-27/h12-14,16-17H,4-11H2,1-3H3,(H,23,25)
InChIKeyKYBUQUNVTDMDTQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.81
Rot. Bonds3

About 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126935733) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126935733
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCC(C)(C)c1ccc(NC2CCC(n3nc4c(cc3=O)CCCC4)CC2)nn1
InChIInChI=1S/C22H31N5O/c1-22(2,3)19-12-13-20(25-24-19)23-16-8-10-17(11-9-16)27-21(28)14-15-6-4-5-7-18(15)26-27/h12-14,16-17H,4-11H2,1-3H3,(H,23,25)
InChIKeyKYBUQUNVTDMDTQ-UHFFFAOYSA-N
XLogP3.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935460
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935418
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935391
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
2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935481
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392
2-[4-(thian-4-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935544
2-[4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 137193687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126935733) is 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is CC(C)(C)c1ccc(NC2CCC(n3nc4c(cc3=O)CCCC4)CC2)nn1.
What is the InChIKey of 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is KYBUQUNVTDMDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-22(2,3)19-12-13-20(25-24-19)23-16-8-10-17(11-9-16)27-21(28)14-15-6-4-5-7-18(15)26-27/h12-14,16-17H,4-11H2,1-3H3,(H,23,25).
What are the key properties of 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 381.52 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126935733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).