4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

C13H14N2 — CID 115403962

IUPAC4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESCc1cccc2nc3c(n12)C1CCC3C1
InChIInChI=1S/C13H14N2/c1-8-3-2-4-11-14-12-9-5-6-10(7-9)13(12)15(8)11/h2-4,9-10H,5-7H2,1H3
InChIKeyIUHHCXPNHFHCGJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.01
Rot. Bonds

About 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (PubChem CID 115403962) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
PubChem CID115403962
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESCc1cccc2nc3c(n12)C1CCC3C1
InChIInChI=1S/C13H14N2/c1-8-3-2-4-11-14-12-9-5-6-10(7-9)13(12)15(8)11/h2-4,9-10H,5-7H2,1H3
InChIKeyIUHHCXPNHFHCGJ-UHFFFAOYSA-N
XLogP3.01
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The IUPAC name of 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (CID 115403962) is 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.
What is the SMILES notation for 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The canonical SMILES for 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is Cc1cccc2nc3c(n12)C1CCC3C1.
What is the InChIKey of 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The InChIKey is IUHHCXPNHFHCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-8-3-2-4-11-14-12-9-5-6-10(7-9)13(12)15(8)11/h2-4,9-10H,5-7H2,1H3.
What are the key properties of 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene has a molecular weight of 198.27 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 115403962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).