4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene

C10H15N3 — CID 175802907

IUPAC4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
SMILESCn1cc2c(n1)C1CCCC(C2)N1
InChIInChI=1S/C10H15N3/c1-13-6-7-5-8-3-2-4-9(11-8)10(7)12-13/h6,8-9,11H,2-5H2,1H3
InChIKeyGUFOYUIBLUVASL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.16
Rot. Bonds

About 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene

4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene (PubChem CID 175802907) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene.

Molecular Properties

Compound Name4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
PubChem CID175802907
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
SMILESCn1cc2c(n1)C1CCCC(C2)N1
InChIInChI=1S/C10H15N3/c1-13-6-7-5-8-3-2-4-9(11-8)10(7)12-13/h6,8-9,11H,2-5H2,1H3
InChIKeyGUFOYUIBLUVASL-UHFFFAOYSA-N
XLogP1.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene?
The IUPAC name of 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene (CID 175802907) is 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene.
What is the SMILES notation for 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene?
The canonical SMILES for 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene is Cn1cc2c(n1)C1CCCC(C2)N1.
What is the InChIKey of 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene?
The InChIKey is GUFOYUIBLUVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-13-6-7-5-8-3-2-4-9(11-8)10(7)12-13/h6,8-9,11H,2-5H2,1H3.
What are the key properties of 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene?
4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene has a molecular weight of 177.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene is sourced from PubChem (CID 175802907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).