8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene

C9H10N4 — CID 96630461

IUPAC8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene
SMILESCc1nc2[nH]ncc2c2c1CNC2
InChIInChI=1S/C9H10N4/c1-5-6-2-10-3-7(6)8-4-11-13-9(8)12-5/h4,10H,2-3H2,1H3,(H,11,12,13)
InChIKeyIQTBPCFPLQHGNH-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.87
Rot. Bonds

About 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene

8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene (PubChem CID 96630461) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene.

Molecular Properties

Compound Name8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene
PubChem CID96630461
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene
SMILESCc1nc2[nH]ncc2c2c1CNC2
InChIInChI=1S/C9H10N4/c1-5-6-2-10-3-7(6)8-4-11-13-9(8)12-5/h4,10H,2-3H2,1H3,(H,11,12,13)
InChIKeyIQTBPCFPLQHGNH-UHFFFAOYSA-N
XLogP0.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene?
The IUPAC name of 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene (CID 96630461) is 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene.
What is the SMILES notation for 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene?
The canonical SMILES for 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene is Cc1nc2[nH]ncc2c2c1CNC2.
What is the InChIKey of 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene?
The InChIKey is IQTBPCFPLQHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-5-6-2-10-3-7(6)8-4-11-13-9(8)12-5/h4,10H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene?
8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene has a molecular weight of 174.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene is sourced from PubChem (CID 96630461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).