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

C18H25N7O2 — CID 126914761

IUPAC2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1cc(C(=O)N2CCN(CCn3nc4c(cc3=O)CCCC4)CC2)nn1
InChIInChI=1S/C18H25N7O2/c1-22-13-16(19-21-22)18(27)24-9-6-23(7-10-24)8-11-25-17(26)12-14-4-2-3-5-15(14)20-25/h12-13H,2-11H2,1H3
InChIKeyFYUDLZDZYSRBKS-UHFFFAOYSA-N
MW371.45 g/mol
LogP-0.29
Rot. Bonds4

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

2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126914761) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126914761
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1cc(C(=O)N2CCN(CCn3nc4c(cc3=O)CCCC4)CC2)nn1
InChIInChI=1S/C18H25N7O2/c1-22-13-16(19-21-22)18(27)24-9-6-23(7-10-24)8-11-25-17(26)12-14-4-2-3-5-15(14)20-25/h12-13H,2-11H2,1H3
InChIKeyFYUDLZDZYSRBKS-UHFFFAOYSA-N
XLogP-0.29
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914410
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
2-[2-[4-(4-bromothiophene-2-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914698
1-methyl-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]triazole-4-carboxamide
CID 126937983
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
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-hydroxycyclohexyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915131
2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914968
2-[2-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914808
2-[2-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914400
2-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914877

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126914761) is 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cn1cc(C(=O)N2CCN(CCn3nc4c(cc3=O)CCCC4)CC2)nn1.
What is the InChIKey of 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is FYUDLZDZYSRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-22-13-16(19-21-22)18(27)24-9-6-23(7-10-24)8-11-25-17(26)12-14-4-2-3-5-15(14)20-25/h12-13H,2-11H2,1H3.
What are the key properties of 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 371.45 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126914761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).