12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C10H13N3 — CID 121183361

IUPAC12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCN1C2CCC1c1cncnc1C2
InChIInChI=1S/C10H13N3/c1-13-7-2-3-10(13)8-5-11-6-12-9(8)4-7/h5-7,10H,2-4H2,1H3
InChIKeyGYIUMDATHRXLKL-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.17
Rot. Bonds

About 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 121183361) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID121183361
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCN1C2CCC1c1cncnc1C2
InChIInChI=1S/C10H13N3/c1-13-7-2-3-10(13)8-5-11-6-12-9(8)4-7/h5-7,10H,2-4H2,1H3
InChIKeyGYIUMDATHRXLKL-UHFFFAOYSA-N
XLogP1.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 121183361) is 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is CN1C2CCC1c1cncnc1C2.
What is the InChIKey of 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is GYIUMDATHRXLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13-7-2-3-10(13)8-5-11-6-12-9(8)4-7/h5-7,10H,2-4H2,1H3.
What are the key properties of 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 175.24 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 121183361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).