4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene

C9H11N3 — CID 44304974

IUPAC4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESC1CC2C3=CN=CN=C3CC1N2
InChIInChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2
InChIKeyOTYQMHKAYHPBDY-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.20
Rot. Bonds

About 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene

4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene (PubChem CID 44304974) has the molecular formula C9H11N3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene
PubChem CID44304974
Molecular FormulaC9H11N3
Molecular Weight161.20 g/mol
Exact Mass161.10
IUPAC Name4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESC1CC2C3=CN=CN=C3CC1N2
InChIInChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2
InChIKeyOTYQMHKAYHPBDY-UHFFFAOYSA-N
XLogP0.20
TPSA37.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity183

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinelorane
CID 57242
Pyrido(2,3-g)quinazolin-2-amine, 5,5a,6,7,8,9,9a,10-octahydro-6-propyl-, (5aS-trans)-
CID 18596256
5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
Quinelorane Hydrochloride
CID 68728
6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
CID 9992142
5,6,7,8-Tetrahydroquinazoline
CID 637537
5H,6H,7H,8H-pyrido(4,3-d)pyrimidine
CID 10932674
5H,6H,7H,8H-pyrido[3,4-d]pyrimidine
CID 21983612
2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 53471483
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
2-Methyl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 16228810
6-Methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-2-ylamine
CID 12450594

Frequently Asked Questions

What is the IUPAC name of 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene?
The IUPAC name of 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene (CID 44304974) is 4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene?
The canonical SMILES for 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene is C1CC2C3=CN=CN=C3CC1N2.
What is the InChIKey of 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene?
The InChIKey is OTYQMHKAYHPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2.
What are the key properties of 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene?
4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene has a molecular weight of 161.20 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene is sourced from PubChem (CID 44304974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).