2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C22H28N8O2 — CID 126914799

IUPAC2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cc(C)n2nc(C(=O)N3CCN(CCn4nc5c(cc4=O)CCCC5)CC3)nc2n1
InChIInChI=1S/C22H28N8O2/c1-15-13-16(2)30-22(23-15)24-20(26-30)21(32)28-10-7-27(8-11-28)9-12-29-19(31)14-17-5-3-4-6-18(17)25-29/h13-14H,3-12H2,1-2H3
InChIKeyMMESUMOMBPMLGJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP0.63
Rot. Bonds4

About 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126914799) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126914799
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cc(C)n2nc(C(=O)N3CCN(CCn4nc5c(cc4=O)CCCC5)CC3)nc2n1
InChIInChI=1S/C22H28N8O2/c1-15-13-16(2)30-22(23-15)24-20(26-30)21(32)28-10-7-27(8-11-28)9-12-29-19(31)14-17-5-3-4-6-18(17)25-29/h13-14H,3-12H2,1-2H3
InChIKeyMMESUMOMBPMLGJ-UHFFFAOYSA-N
XLogP0.63
TPSA101.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862725
2-[2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914413
2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914761
[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 31188652
2-[2-[4-(4-bromothiophene-2-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914698
2-[2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914410
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 31281697
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500853
5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126935642
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328201
2-[2-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914341
2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126914799) is 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1cc(C)n2nc(C(=O)N3CCN(CCn4nc5c(cc4=O)CCCC5)CC3)nc2n1.
What is the InChIKey of 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is MMESUMOMBPMLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-15-13-16(2)30-22(23-15)24-20(26-30)21(32)28-10-7-27(8-11-28)9-12-29-19(31)14-17-5-3-4-6-18(17)25-29/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 436.52 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126914799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).