10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one

C22H29N7O — CID 138475388

IUPAC10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one
SMILESO=c1cccc2n1CC1CCC2CN1c1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C22H29N7O/c30-19-7-5-6-18-16-8-9-17(15-29(18)19)28(14-16)22-24-20(26-10-1-2-11-26)23-21(25-22)27-12-3-4-13-27/h5-7,16-17H,1-4,8-15H2
InChIKeyMDNBYXKIEJCVLV-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.00
Rot. Bonds3

About 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one

10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one (PubChem CID 138475388) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one
PubChem CID138475388
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one
SMILESO=c1cccc2n1CC1CCC2CN1c1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C22H29N7O/c30-19-7-5-6-18-16-8-9-17(15-29(18)19)28(14-16)22-24-20(26-10-1-2-11-26)23-21(25-22)27-12-3-4-13-27/h5-7,16-17H,1-4,8-15H2
InChIKeyMDNBYXKIEJCVLV-UHFFFAOYSA-N
XLogP2.00
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one with MolForge

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Related Compounds

(1S,10S)-11-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-3,11-diazatricyclo[8.2.1.03,8]trideca-5,7-dien-4-one
CID 1077876
11-(4,6-dithiomorpholin-4-yl-1,3,5-triazin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 5302799
(1S,9R)-11-(4,6-dithiomorpholin-4-yl-1,3,5-triazin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 26370611
(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 5351589
7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 135276702
11-[4-chloro-6-(4-chloroanilino)-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 4915955
(1S,9S)-11-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 50953502
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066966
(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
CID 6551054
(1S,9R,10R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163104393
(1S,9S,10R)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 11859174

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one (CID 138475388) is 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one is O=c1cccc2n1CC1CCC2CN1c1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one?
The InChIKey is MDNBYXKIEJCVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c30-19-7-5-6-18-16-8-9-17(15-29(18)19)28(14-16)22-24-20(26-10-1-2-11-26)23-21(25-22)27-12-3-4-13-27/h5-7,16-17H,1-4,8-15H2.
What are the key properties of 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one?
10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one has a molecular weight of 407.52 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 138475388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).