4,9-dihydro-2H-triazolo[4,5-g]quinoline

C9H8N4 — CID 45482701

IUPAC4,9-dihydro-2H-triazolo[4,5-g]quinoline
SMILESc1cnc2c(c1)Cc1n[nH]nc1C2
InChIInChI=1S/C9H8N4/c1-2-6-4-8-9(12-13-11-8)5-7(6)10-3-1/h1-3H,4-5H2,(H,11,12,13)
InChIKeyOKOFWKCIVUPRPW-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.69
Rot. Bonds

About 4,9-dihydro-2H-triazolo[4,5-g]quinoline

4,9-dihydro-2H-triazolo[4,5-g]quinoline (PubChem CID 45482701) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 4,9-dihydro-2H-triazolo[4,5-g]quinoline.

Molecular Properties

Compound Name4,9-dihydro-2H-triazolo[4,5-g]quinoline
PubChem CID45482701
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name4,9-dihydro-2H-triazolo[4,5-g]quinoline
SMILESc1cnc2c(c1)Cc1n[nH]nc1C2
InChIInChI=1S/C9H8N4/c1-2-6-4-8-9(12-13-11-8)5-7(6)10-3-1/h1-3H,4-5H2,(H,11,12,13)
InChIKeyOKOFWKCIVUPRPW-UHFFFAOYSA-N
XLogP0.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-dihydro-2H-triazolo[4,5-g]quinoline?
The IUPAC name of 4,9-dihydro-2H-triazolo[4,5-g]quinoline (CID 45482701) is 4,9-dihydro-2H-triazolo[4,5-g]quinoline.
What is the SMILES notation for 4,9-dihydro-2H-triazolo[4,5-g]quinoline?
The canonical SMILES for 4,9-dihydro-2H-triazolo[4,5-g]quinoline is c1cnc2c(c1)Cc1n[nH]nc1C2.
What is the InChIKey of 4,9-dihydro-2H-triazolo[4,5-g]quinoline?
The InChIKey is OKOFWKCIVUPRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-2-6-4-8-9(12-13-11-8)5-7(6)10-3-1/h1-3H,4-5H2,(H,11,12,13).
What are the key properties of 4,9-dihydro-2H-triazolo[4,5-g]quinoline?
4,9-dihydro-2H-triazolo[4,5-g]quinoline has a molecular weight of 172.19 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydro-2H-triazolo[4,5-g]quinoline is sourced from PubChem (CID 45482701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).