5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine

C14H12F3N5O — CID 177182499

IUPAC5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine
SMILESCNc1nnc(-c2ccc(C(F)(F)F)cc2OC)n2ccnc12
InChIInChI=1S/C14H12F3N5O/c1-18-11-13-19-5-6-22(13)12(21-20-11)9-4-3-8(14(15,16)17)7-10(9)23-2/h3-7H,1-2H3,(H,18,20)
InChIKeyOFVPFMRTVIVEPO-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.86
Rot. Bonds3

About 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine

5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine (PubChem CID 177182499) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine
PubChem CID177182499
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC Name5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine
SMILESCNc1nnc(-c2ccc(C(F)(F)F)cc2OC)n2ccnc12
InChIInChI=1S/C14H12F3N5O/c1-18-11-13-19-5-6-22(13)12(21-20-11)9-4-3-8(14(15,16)17)7-10(9)23-2/h3-7H,1-2H3,(H,18,20)
InChIKeyOFVPFMRTVIVEPO-UHFFFAOYSA-N
XLogP2.86
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-4-[2-methoxy-4-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazine
CID 170685591
N-methyl-5-(4-methylphenyl)imidazo[1,2-d][1,2,4]triazin-8-amine
CID 177182562
5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine
CID 177182534
6-chloro-4-cyclopropyl-3-[2-methoxy-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 166125302
methyl 6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazine-3-carboxylate
CID 178140786
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
CID 122686095
3-(3-fluoro-4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 58777802
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046
6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 167941643
8-[2-methoxy-4-(trifluoromethyl)phenyl]-9-methyl-6-(trifluoromethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]purine
CID 90459267

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine (CID 177182499) is 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine is CNc1nnc(-c2ccc(C(F)(F)F)cc2OC)n2ccnc12.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine?
The InChIKey is OFVPFMRTVIVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c1-18-11-13-19-5-6-22(13)12(21-20-11)9-4-3-8(14(15,16)17)7-10(9)23-2/h3-7H,1-2H3,(H,18,20).
What are the key properties of 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine?
5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine has a molecular weight of 323.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine is sourced from PubChem (CID 177182499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).