13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene

C10H10N4 — CID 57209093

IUPAC13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene
SMILESCN1CC=C2C=Cn3cnnc3C=C21
InChIInChI=1S/C10H10N4/c1-13-4-2-8-3-5-14-7-11-12-10(14)6-9(8)13/h2-3,5-7H,4H2,1H3
InChIKeyCEWYHQWQKCTXSF-UHFFFAOYSA-N
MW186.22 g/mol
LogP0.98
Rot. Bonds

About 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene

13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene (PubChem CID 57209093) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene.

Molecular Properties

Compound Name13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene
PubChem CID57209093
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene
SMILESCN1CC=C2C=Cn3cnnc3C=C21
InChIInChI=1S/C10H10N4/c1-13-4-2-8-3-5-14-7-11-12-10(14)6-9(8)13/h2-3,5-7H,4H2,1H3
InChIKeyCEWYHQWQKCTXSF-UHFFFAOYSA-N
XLogP0.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene with MolForge

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Related Compounds

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5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene?
The IUPAC name of 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene (CID 57209093) is 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene.
What is the SMILES notation for 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene?
The canonical SMILES for 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene is CN1CC=C2C=Cn3cnnc3C=C21.
What is the InChIKey of 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene?
The InChIKey is CEWYHQWQKCTXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-13-4-2-8-3-5-14-7-11-12-10(14)6-9(8)13/h2-3,5-7H,4H2,1H3.
What are the key properties of 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene?
13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene has a molecular weight of 186.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene is sourced from PubChem (CID 57209093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).