10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

C9H10N4 — CID 137156336

IUPAC10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESCc1cc2[nH]nc3c2c(n1)CCN3
InChIInChI=1S/C9H10N4/c1-5-4-7-8-6(11-5)2-3-10-9(8)13-12-7/h4H,2-3H2,1H3,(H2,10,12,13)
InChIKeyVABYIMBGLJMSRA-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.23
Rot. Bonds

About 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (PubChem CID 137156336) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.

Molecular Properties

Compound Name10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
PubChem CID137156336
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESCc1cc2[nH]nc3c2c(n1)CCN3
InChIInChI=1S/C9H10N4/c1-5-4-7-8-6(11-5)2-3-10-9(8)13-12-7/h4H,2-3H2,1H3,(H2,10,12,13)
InChIKeyVABYIMBGLJMSRA-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene with MolForge

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Related Compounds

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2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine
CID 154111959
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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The IUPAC name of 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (CID 137156336) is 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.
What is the SMILES notation for 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The canonical SMILES for 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is Cc1cc2[nH]nc3c2c(n1)CCN3.
What is the InChIKey of 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The InChIKey is VABYIMBGLJMSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-5-4-7-8-6(11-5)2-3-10-9(8)13-12-7/h4H,2-3H2,1H3,(H2,10,12,13).
What are the key properties of 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene has a molecular weight of 174.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is sourced from PubChem (CID 137156336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).