4-chloro-8-methyltetrazolo[1,5-a]quinoxaline

C9H6ClN5 — CID 4202676

IUPAC4-chloro-8-methyltetrazolo[1,5-a]quinoxaline
SMILESCc1ccc2nc(Cl)c3nnnn3c2c1
InChIInChI=1S/C9H6ClN5/c1-5-2-3-6-7(4-5)15-9(8(10)11-6)12-13-14-15/h2-4H,1H3
InChIKeyLEFORVJLCSBHTR-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.63
Rot. Bonds

About 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline

4-chloro-8-methyltetrazolo[1,5-a]quinoxaline (PubChem CID 4202676) has the molecular formula C9H6ClN5 and a molecular weight of 219.64 g/mol. Its IUPAC name is 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-chloro-8-methyltetrazolo[1,5-a]quinoxaline
PubChem CID4202676
Molecular FormulaC9H6ClN5
Molecular Weight219.64 g/mol
Exact Mass219.03
IUPAC Name4-chloro-8-methyltetrazolo[1,5-a]quinoxaline
SMILESCc1ccc2nc(Cl)c3nnnn3c2c1
InChIInChI=1S/C9H6ClN5/c1-5-2-3-6-7(4-5)15-9(8(10)11-6)12-13-14-15/h2-4H,1H3
InChIKeyLEFORVJLCSBHTR-UHFFFAOYSA-N
XLogP1.63
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline (CID 4202676) is 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline is Cc1ccc2nc(Cl)c3nnnn3c2c1.
What is the InChIKey of 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline?
The InChIKey is LEFORVJLCSBHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5/c1-5-2-3-6-7(4-5)15-9(8(10)11-6)12-13-14-15/h2-4H,1H3.
What are the key properties of 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline?
4-chloro-8-methyltetrazolo[1,5-a]quinoxaline has a molecular weight of 219.64 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyltetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 4202676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).