1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine

C16H9ClF2N4 — CID 110173676

IUPAC1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCc1nc(-c2ccccc2Cl)n2c1nnc1c(F)cc(F)cc12
InChIInChI=1S/C16H9ClF2N4/c1-8-15-22-21-14-12(19)6-9(18)7-13(14)23(15)16(20-8)10-4-2-3-5-11(10)17/h2-7H,1H3
InChIKeyMDCMWPLNZKZWQD-UHFFFAOYSA-N
MW330.73 g/mol
LogP4.18
Rot. Bonds1

About 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine

1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 110173676) has the molecular formula C16H9ClF2N4 and a molecular weight of 330.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID110173676
Molecular FormulaC16H9ClF2N4
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCc1nc(-c2ccccc2Cl)n2c1nnc1c(F)cc(F)cc12
InChIInChI=1S/C16H9ClF2N4/c1-8-15-22-21-14-12(19)6-9(18)7-13(14)23(15)16(20-8)10-4-2-3-5-11(10)17/h2-7H,1H3
InChIKeyMDCMWPLNZKZWQD-UHFFFAOYSA-N
XLogP4.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 110173676) is 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine is Cc1nc(-c2ccccc2Cl)n2c1nnc1c(F)cc(F)cc12.
What is the InChIKey of 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is MDCMWPLNZKZWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4/c1-8-15-22-21-14-12(19)6-9(18)7-13(14)23(15)16(20-8)10-4-2-3-5-11(10)17/h2-7H,1H3.
What are the key properties of 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 330.73 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 110173676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).