10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

C11H13N3 — CID 55268542

IUPAC10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCc1cccn2c3c(nc12)CCNC3
InChIInChI=1S/C11H13N3/c1-8-3-2-6-14-10-7-12-5-4-9(10)13-11(8)14/h2-3,6,12H,4-5,7H2,1H3
InChIKeyQDUGHRKONADKAD-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.29
Rot. Bonds

About 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 55268542) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID55268542
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCc1cccn2c3c(nc12)CCNC3
InChIInChI=1S/C11H13N3/c1-8-3-2-6-14-10-7-12-5-4-9(10)13-11(8)14/h2-3,6,12H,4-5,7H2,1H3
InChIKeyQDUGHRKONADKAD-UHFFFAOYSA-N
XLogP1.29
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115281707
10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 82530798
5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 115404304
4,6,6-trimethyl-8,9-dihydro-7H-pyrido[1,2-a]benzimidazole
CID 115404376
14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 115404323
3,8-dimethyl-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 115029259
14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
CID 50984225
3,8-dimethyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115037396
4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole
CID 103961742
1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 82411596
2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 5297530
6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
CID 113303395

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 55268542) is 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is Cc1cccn2c3c(nc12)CCNC3.
What is the InChIKey of 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is QDUGHRKONADKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-3-2-6-14-10-7-12-5-4-9(10)13-11(8)14/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene has a molecular weight of 187.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 55268542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).