11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

C19H17N5 — CID 58382481

IUPAC11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESCc1ccc2c(c1)c(-c1cc3c(ncc4c[nH]n(C)c43)n1)cn2C
InChIInChI=1S/C19H17N5/c1-11-4-5-17-13(6-11)15(10-23(17)2)16-7-14-18-12(9-21-24(18)3)8-20-19(14)22-16/h4-10,21H,1-3H3
InChIKeyOCNLCUYCIHKZGD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.92
Rot. Bonds1

About 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (PubChem CID 58382481) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.

Molecular Properties

Compound Name11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
PubChem CID58382481
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESCc1ccc2c(c1)c(-c1cc3c(ncc4c[nH]n(C)c43)n1)cn2C
InChIInChI=1S/C19H17N5/c1-11-4-5-17-13(6-11)15(10-23(17)2)16-7-14-18-12(9-21-24(18)3)8-20-19(14)22-16/h4-10,21H,1-3H3
InChIKeyOCNLCUYCIHKZGD-UHFFFAOYSA-N
XLogP3.92
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The IUPAC name of 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (CID 58382481) is 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.
What is the SMILES notation for 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The canonical SMILES for 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is Cc1ccc2c(c1)c(-c1cc3c(ncc4c[nH]n(C)c43)n1)cn2C.
What is the InChIKey of 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The InChIKey is OCNLCUYCIHKZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-11-4-5-17-13(6-11)15(10-23(17)2)16-7-14-18-12(9-21-24(18)3)8-20-19(14)22-16/h4-10,21H,1-3H3.
What are the key properties of 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene has a molecular weight of 315.38 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,5-dimethylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is sourced from PubChem (CID 58382481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).