1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene

C8H8N4 — CID 23127919

IUPAC1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene
SMILESC1=Cn2ncc3c2N(C=NC3)C1
InChIInChI=1S/C8H8N4/c1-2-11-6-9-4-7-5-10-12(3-1)8(7)11/h1,3,5-6H,2,4H2
InChIKeyVFKNWBYCFZKYKE-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.72
Rot. Bonds

About 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene

1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene (PubChem CID 23127919) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene.

Molecular Properties

Compound Name1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene
PubChem CID23127919
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene
SMILESC1=Cn2ncc3c2N(C=NC3)C1
InChIInChI=1S/C8H8N4/c1-2-11-6-9-4-7-5-10-12(3-1)8(7)11/h1,3,5-6H,2,4H2
InChIKeyVFKNWBYCFZKYKE-UHFFFAOYSA-N
XLogP0.72
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-imine
CID 234520
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 10855859
5-Butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-imine
CID 319529
1,2,6,8-Tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraen-5-one
CID 19762845
1,2,6,8-Tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,9-tetraen-5-one
CID 54135814
N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine
CID 59485528
CID 60079195
CID 60079195
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 85290638
2,3-di(propan-2-yl)-4H-pyrazolo[1,5-a][1,3,5]triazine
CID 89929520
2,3-dimethyl-4H-pyrazolo[1,5-a][1,3,5]triazine
CID 89930478
N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine
CID 90437472
(Z)-N-(1,4-dimethylpyrazol-5-yl)prop-2-en-1-imine
CID 117609518

Frequently Asked Questions

What is the IUPAC name of 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene?
The IUPAC name of 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene (CID 23127919) is 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene.
What is the SMILES notation for 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene?
The canonical SMILES for 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene is C1=Cn2ncc3c2N(C=NC3)C1.
What is the InChIKey of 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene?
The InChIKey is VFKNWBYCFZKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-11-6-9-4-7-5-10-12(3-1)8(7)11/h1,3,5-6H,2,4H2.
What are the key properties of 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene?
1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene has a molecular weight of 160.18 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene is sourced from PubChem (CID 23127919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).