5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C11H15N3 — CID 84662219

IUPAC5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCc1ncc2c(n1)CC1CNCC2C1
InChIInChI=1S/C11H15N3/c1-7-13-6-10-9-2-8(4-12-5-9)3-11(10)14-7/h6,8-9,12H,2-5H2,1H3
InChIKeyCARGWKBFIORTST-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.03
Rot. Bonds

About 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene

5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 84662219) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID84662219
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCc1ncc2c(n1)CC1CNCC2C1
InChIInChI=1S/C11H15N3/c1-7-13-6-10-9-2-8(4-12-5-9)3-11(10)14-7/h6,8-9,12H,2-5H2,1H3
InChIKeyCARGWKBFIORTST-UHFFFAOYSA-N
XLogP1.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,9R)-5-chloro-6,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 50924071
2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
CID 82414595
6,7-dimethyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 10198642
6-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71325236
5-bromo-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 83680077
(1S,9R)-5,6-difluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 15953502
11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 10219748
(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 11608185
(1S,9R)-5,6-difluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;hydrochloride
CID 135056683
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;hydrobromide
CID 75164726

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 84662219) is 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene is Cc1ncc2c(n1)CC1CNCC2C1.
What is the InChIKey of 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is CARGWKBFIORTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-13-6-10-9-2-8(4-12-5-9)3-11(10)14-7/h6,8-9,12H,2-5H2,1H3.
What are the key properties of 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 189.26 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 84662219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).