3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene

C9H6N4 — CID 130047223

IUPAC3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene
SMILESc1cnc2c(ccn3ccnc23)n1
InChIInChI=1S/C9H6N4/c1-5-13-6-4-12-9(13)8-7(1)10-2-3-11-8/h1-6H
InChIKeyVEKDLSFQWDOXHY-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.28
Rot. Bonds

About 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene

3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene (PubChem CID 130047223) has the molecular formula C9H6N4 and a molecular weight of 170.18 g/mol. Its IUPAC name is 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene.

Molecular Properties

Compound Name3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene
PubChem CID130047223
Molecular FormulaC9H6N4
Molecular Weight170.18 g/mol
Exact Mass170.06
IUPAC Name3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene
SMILESc1cnc2c(ccn3ccnc23)n1
InChIInChI=1S/C9H6N4/c1-5-13-6-4-12-9(13)8-7(1)10-2-3-11-8/h1-6H
InChIKeyVEKDLSFQWDOXHY-UHFFFAOYSA-N
XLogP1.28
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene with MolForge

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Related Compounds

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imidazo[1,2-a]pyridin-8-amine;hydrochloride
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7-quinolin-8-ylimidazo[2,1-a]isoquinoline
CID 58517751
3-methylimidazo[4,5-f]quinoxaline
CID 45078085
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
8-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 151841576
imidazo[1,2-a]pyridin-8-ylmethanamine
CID 18766910
4-nitro-8,11-diazatricyclo[6.3.0.02,5]undeca-1(11),2(5),6,9-tetraene
CID 87658732
imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
hydron;imidazo[1,2-c]quinazoline
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8,9-dimethoxyimidazo[2,1-a]isoquinoline
CID 132567007

Frequently Asked Questions

What is the IUPAC name of 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene?
The IUPAC name of 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene (CID 130047223) is 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene.
What is the SMILES notation for 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene?
The canonical SMILES for 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene is c1cnc2c(ccn3ccnc23)n1.
What is the InChIKey of 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene?
The InChIKey is VEKDLSFQWDOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c1-5-13-6-4-12-9(13)8-7(1)10-2-3-11-8/h1-6H.
What are the key properties of 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene?
3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene has a molecular weight of 170.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene is sourced from PubChem (CID 130047223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).