1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene

C10H10N2 — CID 123614469

IUPAC1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene
SMILESC1=CN2C=CN3CC=CC(=C1)C23
InChIInChI=1S/C10H10N2/c1-3-9-4-2-6-12-8-7-11(5-1)10(9)12/h1-5,7-8,10H,6H2
InChIKeyGAKFKRIEDFVYCJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.42
Rot. Bonds

About 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene

1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene (PubChem CID 123614469) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene.

Molecular Properties

Compound Name1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene
PubChem CID123614469
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene
SMILESC1=CN2C=CN3CC=CC(=C1)C23
InChIInChI=1S/C10H10N2/c1-3-9-4-2-6-12-8-7-11(5-1)10(9)12/h1-5,7-8,10H,6H2
InChIKeyGAKFKRIEDFVYCJ-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 58517596
CID 58517596
4-Fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517630
2,6-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517673
2-Ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517691
2,5-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517885
2,4-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517892
Iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58517932
2-Methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;platinum(2+)
CID 58517990
CID 58518027
CID 58518027
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58518092
3-Ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline
CID 71248614
1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine
CID 123579495

Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene?
The IUPAC name of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene (CID 123614469) is 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene.
What is the SMILES notation for 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene?
The canonical SMILES for 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene is C1=CN2C=CN3CC=CC(=C1)C23.
What is the InChIKey of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene?
The InChIKey is GAKFKRIEDFVYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-3-9-4-2-6-12-8-7-11(5-1)10(9)12/h1-5,7-8,10H,6H2.
What are the key properties of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene?
1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene has a molecular weight of 158.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene is sourced from PubChem (CID 123614469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).