5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine

C10H8F2N4O — CID 43145511

IUPAC5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C10H8F2N4O/c11-9(12)17-7-3-1-6(2-4-7)8-5-14-16-10(13)15-8/h1-5,9H,(H2,13,15,16)
InChIKeyPFMAPGSSGCWCJF-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.72
Rot. Bonds3

About 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine

5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine (PubChem CID 43145511) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine
PubChem CID43145511
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C10H8F2N4O/c11-9(12)17-7-3-1-6(2-4-7)8-5-14-16-10(13)15-8/h1-5,9H,(H2,13,15,16)
InChIKeyPFMAPGSSGCWCJF-UHFFFAOYSA-N
XLogP1.72
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine
CID 43134548
4-(difluoromethoxy)aniline
CID 737363
3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole
CID 19586361
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
CID 155286933
3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
CID 112559134
5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
5-(4-fluoro-3-nitrophenyl)-1,2,4-triazin-3-amine
CID 114059916
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide
CID 19580847
4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine
CID 63549274

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine (CID 43145511) is 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine is Nc1nncc(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is PFMAPGSSGCWCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-9(12)17-7-3-1-6(2-4-7)8-5-14-16-10(13)15-8/h1-5,9H,(H2,13,15,16).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine?
5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 238.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 43145511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).