3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine

C9H8ClN3O — CID 90749385

IUPAC3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine
SMILESCOc1cc2nnc(Cl)nc2cc1C
InChIInChI=1S/C9H8ClN3O/c1-5-3-6-7(4-8(5)14-2)12-13-9(10)11-6/h3-4H,1-2H3
InChIKeyGJIWBSXEPLDMKE-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.00
Rot. Bonds1

About 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine

3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine (PubChem CID 90749385) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine
PubChem CID90749385
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine
SMILESCOc1cc2nnc(Cl)nc2cc1C
InChIInChI=1S/C9H8ClN3O/c1-5-3-6-7(4-8(5)14-2)12-13-9(10)11-6/h3-4H,1-2H3
InChIKeyGJIWBSXEPLDMKE-UHFFFAOYSA-N
XLogP2.00
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
6-methoxy-2,5-dimethylindazole
CID 162433035
2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
CID 145204236
chloro-tris(2,4-dimethoxy-5-methylphenyl)silane
CID 88962953
CID 90466532
CID 90466532
3-chloro-6,7-dimethoxy-2-methylquinoline
CID 174844835
10-chloro-9-methoxycinnolino[3,4-b]quinoxaline
CID 10447302
4-bromo-7-methoxy-6-methylcinnoline
CID 53415018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine?
The IUPAC name of 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine (CID 90749385) is 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine.
What is the SMILES notation for 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine?
The canonical SMILES for 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine is COc1cc2nnc(Cl)nc2cc1C.
What is the InChIKey of 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine?
The InChIKey is GJIWBSXEPLDMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5-3-6-7(4-8(5)14-2)12-13-9(10)11-6/h3-4H,1-2H3.
What are the key properties of 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine?
3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine has a molecular weight of 209.64 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine is sourced from PubChem (CID 90749385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).