5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine

C11H9ClFN3O — CID 116823316

IUPAC5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(C)nc2Cl)cc1F
InChIInChI=1S/C11H9ClFN3O/c1-6-14-11(12)10(16-15-6)7-3-4-9(17-2)8(13)5-7/h3-5H,1-2H3
InChIKeyBBCVOVBDMTVLPO-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.65
Rot. Bonds2

About 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine

5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine (PubChem CID 116823316) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
PubChem CID116823316
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(C)nc2Cl)cc1F
InChIInChI=1S/C11H9ClFN3O/c1-6-14-11(12)10(16-15-6)7-3-4-9(17-2)8(13)5-7/h3-5H,1-2H3
InChIKeyBBCVOVBDMTVLPO-UHFFFAOYSA-N
XLogP2.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
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[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
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CID 119008746
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81442160
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
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CID 81274573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine?
The IUPAC name of 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine (CID 116823316) is 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine?
The canonical SMILES for 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine is COc1ccc(-c2nnc(C)nc2Cl)cc1F.
What is the InChIKey of 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine?
The InChIKey is BBCVOVBDMTVLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-14-11(12)10(16-15-6)7-3-4-9(17-2)8(13)5-7/h3-5H,1-2H3.
What are the key properties of 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine?
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine has a molecular weight of 253.66 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine is sourced from PubChem (CID 116823316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).