15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene

C16H21N3 — CID 58189332

IUPAC15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene
SMILESCc1ccc2c(c1)nc1n2CCN2CCCCC2C1
InChIInChI=1S/C16H21N3/c1-12-5-6-15-14(10-12)17-16-11-13-4-2-3-7-18(13)8-9-19(15)16/h5-6,10,13H,2-4,7-9,11H2,1H3
InChIKeyXVDTVIQKXTZDIK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.76
Rot. Bonds

About 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene

15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene (PubChem CID 58189332) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene.

Molecular Properties

Compound Name15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene
PubChem CID58189332
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene
SMILESCc1ccc2c(c1)nc1n2CCN2CCCCC2C1
InChIInChI=1S/C16H21N3/c1-12-5-6-15-14(10-12)17-16-11-13-4-2-3-7-18(13)8-9-19(15)16/h5-6,10,13H,2-4,7-9,11H2,1H3
InChIKeyXVDTVIQKXTZDIK-UHFFFAOYSA-N
XLogP2.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene?
The IUPAC name of 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene (CID 58189332) is 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene.
What is the SMILES notation for 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene?
The canonical SMILES for 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene is Cc1ccc2c(c1)nc1n2CCN2CCCCC2C1.
What is the InChIKey of 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene?
The InChIKey is XVDTVIQKXTZDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-5-6-15-14(10-12)17-16-11-13-4-2-3-7-18(13)8-9-19(15)16/h5-6,10,13H,2-4,7-9,11H2,1H3.
What are the key properties of 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene?
15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene has a molecular weight of 255.36 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene is sourced from PubChem (CID 58189332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).