2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene

C8H5N3 — CID 134572837

IUPAC2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene
SMILESC1=CC=Cc2ncncc2N=1
InChIInChI=1S/C8H5N3/c1-2-4-10-8-5-9-6-11-7(8)3-1/h1-3,5-6H
InChIKeySJOROHLOTIJTGV-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.36
Rot. Bonds

About 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene

2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene (PubChem CID 134572837) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene.

Molecular Properties

Compound Name2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene
PubChem CID134572837
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene
SMILESC1=CC=Cc2ncncc2N=1
InChIInChI=1S/C8H5N3/c1-2-4-10-8-5-9-6-11-7(8)3-1/h1-3,5-6H
InChIKeySJOROHLOTIJTGV-UHFFFAOYSA-N
XLogP1.36
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-11-methylidene-12-thia-5,7,10,14-tetrazatricyclo[11.5.0.04,9]octadeca-1(13),3,5,7,9,14,15,17-octaene
CID 174134520
1H-pyrimido[5,4-c]oxazepin-3-one
CID 69034337
6H-pyrano[3,2-d]pyrimidine
CID 66624036
pyrimido[4,5-b][1,4]oxazepine
CID 45080248
7,7-dimethylpyrimido[5,4-e][1,4]diazepine
CID 142157693
2-iodopyrimido[5,4-d]pyrimidine
CID 90082580
8-methyl-8λ4,9-dithia-2,4,7-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 173233981
thiadiazolo[5,4-d]pyrimidine 3,3-dioxide
CID 69334490
3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene
CID 131852954
5H-pyrimido[4,5-c]azepine
CID 67370173
3,4-dihydro-1H-pyrimido[4,5-c]oxazine
CID 45080114
pyrimido[5,4-b][1,4]oxazepine
CID 45080290

Frequently Asked Questions

What is the IUPAC name of 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene?
The IUPAC name of 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene (CID 134572837) is 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene.
What is the SMILES notation for 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene?
The canonical SMILES for 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene is C1=CC=Cc2ncncc2N=1.
What is the InChIKey of 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene?
The InChIKey is SJOROHLOTIJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c1-2-4-10-8-5-9-6-11-7(8)3-1/h1-3,5-6H.
What are the key properties of 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene?
2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene has a molecular weight of 143.15 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene is sourced from PubChem (CID 134572837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).