1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

C7H5N3 — CID 142933410

IUPAC1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESC1=CC=Cc2ncnn2C=1
InChIInChI=1S/C7H5N3/c1-2-4-7-8-6-9-10(7)5-3-1/h1-2,4-6H
InChIKeyWOPBQNOHBJAISU-UHFFFAOYSA-N
MW131.14 g/mol
LogP0.93
Rot. Bonds

About 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (PubChem CID 142933410) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.

Molecular Properties

Compound Name1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
PubChem CID142933410
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESC1=CC=Cc2ncnn2C=1
InChIInChI=1S/C7H5N3/c1-2-4-7-8-6-9-10(7)5-3-1/h1-2,4-6H
InChIKeyWOPBQNOHBJAISU-UHFFFAOYSA-N
XLogP0.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5H-pyrrolo[1,2-b][1,2,4]triazole
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7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 54002540
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
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9H-[1,2,4]triazolo[1,5-a]azepine
CID 57200916
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
CID 59806643
CID 59806643
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
CID 88558971
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
9H-[1,2,4]triazolo[4,3-a]azepine
CID 91201848

Frequently Asked Questions

What is the IUPAC name of 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The IUPAC name of 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (CID 142933410) is 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.
What is the SMILES notation for 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The canonical SMILES for 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is C1=CC=Cc2ncnn2C=1.
What is the InChIKey of 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The InChIKey is WOPBQNOHBJAISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-2-4-7-8-6-9-10(7)5-3-1/h1-2,4-6H.
What are the key properties of 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene has a molecular weight of 131.14 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is sourced from PubChem (CID 142933410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).