1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene

C8H8N4 — CID 57358786

IUPAC1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
SMILESc1ncn2c1Cn1cncc1C2
InChIInChI=1S/C8H8N4/c1-7-3-12-6-10-2-8(12)4-11(7)5-9-1/h1-2,5-6H,3-4H2
InChIKeyOWOBJBKJMLWTAV-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.49
Rot. Bonds

About 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene

1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene (PubChem CID 57358786) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene.

Molecular Properties

Compound Name1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
PubChem CID57358786
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
SMILESc1ncn2c1Cn1cncc1C2
InChIInChI=1S/C8H8N4/c1-7-3-12-6-10-2-8(12)4-11(7)5-9-1/h1-2,5-6H,3-4H2
InChIKeyOWOBJBKJMLWTAV-UHFFFAOYSA-N
XLogP0.49
TPSA35.64 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 ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dipropylimidazo[2,1-f]purin-5-one
CID 9859958
1,4-Dipropylimidazo[2,1-f]purin-5-one
CID 10706416
5H,6H,7H,8H-imidazo(1,2-a)pyridin-2-ylmethanamine
CID 47003215
4-[4-(Pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
CID 134138572
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethyl}(methyl)amine
CID 82596909
5,6,7,8-Tetrahydroimidazo(1,5-a)pyrazine
CID 20825705
3-Methyl-5,6,7,8-tetrahydroimidazo(1,5-a)pyrazine
CID 20825880
3-Bromo-5,6,7,8-tetrahydroimidazo(1,5-a)pyrazine hydrochloride
CID 72206755
N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide
CID 45276252
N,N-diisopropyl-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxamide
CID 56889516
[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
CID 97384425
[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
CID 97408444

Frequently Asked Questions

What is the IUPAC name of 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The IUPAC name of 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene (CID 57358786) is 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene.
What is the SMILES notation for 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The canonical SMILES for 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene is c1ncn2c1Cn1cncc1C2.
What is the InChIKey of 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The InChIKey is OWOBJBKJMLWTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-7-3-12-6-10-2-8(12)4-11(7)5-9-1/h1-2,5-6H,3-4H2.
What are the key properties of 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene has a molecular weight of 160.18 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene is sourced from PubChem (CID 57358786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).