2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene

C11H14N4 — CID 57327900

IUPAC2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
SMILESc1nc2ncc3c(n2n1)CCCCCC3
InChIInChI=1S/C11H14N4/c1-2-4-6-10-9(5-3-1)7-12-11-13-8-14-15(10)11/h7-8H,1-6H2
InChIKeyKGKIKGMINZEAAO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.78
Rot. Bonds

About 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene

2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene (PubChem CID 57327900) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
PubChem CID57327900
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
SMILESc1nc2ncc3c(n2n1)CCCCCC3
InChIInChI=1S/C11H14N4/c1-2-4-6-10-9(5-3-1)7-12-11-13-8-14-15(10)11/h7-8H,1-6H2
InChIKeyKGKIKGMINZEAAO-UHFFFAOYSA-N
XLogP1.78
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ametoctradin
CID 15604010
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5-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15731448
6,7,8,9-Tetrahydrotetrazolo[1,5-a]quinazoline
CID 2319614
7-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900930
6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 177377402
5,7-Ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine
CID 71664667
7-cyclohexyl-6-methyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958068
(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
CID 170396789
(11S)-4,6,11-trimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
CID 170396791
N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 46094592
2-(Azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 46096739

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
The IUPAC name of 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene (CID 57327900) is 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
The canonical SMILES for 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene is c1nc2ncc3c(n2n1)CCCCCC3.
What is the InChIKey of 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
The InChIKey is KGKIKGMINZEAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-4-6-10-9(5-3-1)7-12-11-13-8-14-15(10)11/h7-8H,1-6H2.
What are the key properties of 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene has a molecular weight of 202.26 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 57327900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).