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

C10H12N4 — CID 134576476

IUPAC3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCC1NCCc2nc3ncccn3c21
InChIInChI=1S/C10H12N4/c1-7-9-8(3-5-11-7)13-10-12-4-2-6-14(9)10/h2,4,6-7,11H,3,5H2,1H3
InChIKeyRQNITGLBZURJPX-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 134576476) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID134576476
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCC1NCCc2nc3ncccn3c21
InChIInChI=1S/C10H12N4/c1-7-9-8(3-5-11-7)13-10-12-4-2-6-14(9)10/h2,4,6-7,11H,3,5H2,1H3
InChIKeyRQNITGLBZURJPX-UHFFFAOYSA-N
XLogP0.94
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 134576476) is 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is CC1NCCc2nc3ncccn3c21.
What is the InChIKey of 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is RQNITGLBZURJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-9-8(3-5-11-7)13-10-12-4-2-6-14(9)10/h2,4,6-7,11H,3,5H2,1H3.
What are the key properties of 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene has a molecular weight of 188.23 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 134576476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).