1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one

C19H23N7O — CID 126911307

IUPAC1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one
SMILESCn1c(CN2CCC(c3nnc4cc5c(nn34)CCC5)CC2)cncc1=O
InChIInChI=1S/C19H23N7O/c1-24-15(10-20-11-18(24)27)12-25-7-5-13(6-8-25)19-22-21-17-9-14-3-2-4-16(14)23-26(17)19/h9-11,13H,2-8,12H2,1H3
InChIKeyUCLBKLFRGIMDQT-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.09
Rot. Bonds3

About 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one

1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one (PubChem CID 126911307) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one
PubChem CID126911307
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one
SMILESCn1c(CN2CCC(c3nnc4cc5c(nn34)CCC5)CC2)cncc1=O
InChIInChI=1S/C19H23N7O/c1-24-15(10-20-11-18(24)27)12-25-7-5-13(6-8-25)19-22-21-17-9-14-3-2-4-16(14)23-26(17)19/h9-11,13H,2-8,12H2,1H3
InChIKeyUCLBKLFRGIMDQT-UHFFFAOYSA-N
XLogP1.09
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one with MolForge

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Related Compounds

3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one
CID 126911310
12-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911358
5-propan-2-yl-4-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911341
3-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]pyrrolidin-2-one
CID 126911383
3-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]azepan-2-one
CID 126911379
4-methoxy-1-methyl-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidine-1-carbonyl]pyridin-2-one
CID 126911212
(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone
CID 126911164
12-(1-pyrimidin-4-ylpiperidin-4-yl)-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911401
2-(methoxymethyl)-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126911405
12-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911272
[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126911173
12-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911220

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one?
The IUPAC name of 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one (CID 126911307) is 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one?
The canonical SMILES for 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one is Cn1c(CN2CCC(c3nnc4cc5c(nn34)CCC5)CC2)cncc1=O.
What is the InChIKey of 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one?
The InChIKey is UCLBKLFRGIMDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-15(10-20-11-18(24)27)12-25-7-5-13(6-8-25)19-22-21-17-9-14-3-2-4-16(14)23-26(17)19/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one?
1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one is sourced from PubChem (CID 126911307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).