2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H24N6O — CID 126935839

IUPAC2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nnc4ccccn34)CC1)CCCC2
InChIInChI=1S/C20H24N6O/c27-19-13-14-5-1-2-6-17(14)24-26(19)16-10-8-15(9-11-16)21-20-23-22-18-7-3-4-12-25(18)20/h3-4,7,12-13,15-16H,1-2,5-6,8-11H2,(H,21,23)
InChIKeyHQKVEBNNFMDYOJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.76
Rot. Bonds3

About 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126935839) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126935839
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nnc4ccccn34)CC1)CCCC2
InChIInChI=1S/C20H24N6O/c27-19-13-14-5-1-2-6-17(14)24-26(19)16-10-8-15(9-11-16)21-20-23-22-18-7-3-4-12-25(18)20/h3-4,7,12-13,15-16H,1-2,5-6,8-11H2,(H,21,23)
InChIKeyHQKVEBNNFMDYOJ-UHFFFAOYSA-N
XLogP2.76
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715
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
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-[[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-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935813
2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935481
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935754
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935447

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126935839) is 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1CCC(Nc3nnc4ccccn34)CC1)CCCC2.
What is the InChIKey of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is HQKVEBNNFMDYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-19-13-14-5-1-2-6-17(14)24-26(19)16-10-8-15(9-11-16)21-20-23-22-18-7-3-4-12-25(18)20/h3-4,7,12-13,15-16H,1-2,5-6,8-11H2,(H,21,23).
What are the key properties of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126935839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).