7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene

C5H4IN3 — CID 142705008

IUPAC7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene
SMILESc1cnc2c(c1)I=NN2
InChIInChI=1S/C5H4IN3/c1-2-4-5(7-3-1)8-9-6-4/h1-3H,(H,7,8)
InChIKeyXGIWPPOLXPYISN-UHFFFAOYSA-N
MW233.01 g/mol
LogP1.75
Rot. Bonds

About 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene

7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene (PubChem CID 142705008) has the molecular formula C5H4IN3 and a molecular weight of 233.01 g/mol. Its IUPAC name is 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene.

Molecular Properties

Compound Name7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene
PubChem CID142705008
Molecular FormulaC5H4IN3
Molecular Weight233.01 g/mol
Exact Mass232.94
IUPAC Name7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene
SMILESc1cnc2c(c1)I=NN2
InChIInChI=1S/C5H4IN3/c1-2-4-5(7-3-1)8-9-6-4/h1-3H,(H,7,8)
InChIKeyXGIWPPOLXPYISN-UHFFFAOYSA-N
XLogP1.75
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 90128646
CID 90128646
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N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine
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iridium(3+);1,5-naphthyridine
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4H-pyrido[3,2-b][1,4]thiazine
CID 19746111
ethane;2-methylidene-1,3-dihydroimidazo[4,5-b]pyridine
CID 90724739
3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89143858
1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 142419123
1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium
CID 118591416
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CID 141075703

Frequently Asked Questions

What is the IUPAC name of 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene?
The IUPAC name of 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene (CID 142705008) is 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene.
What is the SMILES notation for 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene?
The canonical SMILES for 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene is c1cnc2c(c1)I=NN2.
What is the InChIKey of 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene?
The InChIKey is XGIWPPOLXPYISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3/c1-2-4-5(7-3-1)8-9-6-4/h1-3H,(H,7,8).
What are the key properties of 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene?
7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene has a molecular weight of 233.01 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7λ3-ioda-2,8,9-triazabicyclo[4.3.0]nona-1(6),2,4,7-tetraene is sourced from PubChem (CID 142705008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).