5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

C14H11F6N5O — CID 169154006

IUPAC5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESC/C(N)=C/c1nc(N)nnc1-c1ccc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C14H11F6N5O/c1-6(21)4-9-11(24-25-12(22)23-9)8-3-2-7(13(15,16)17)5-10(8)26-14(18,19)20/h2-5H,21H2,1H3,(H2,22,23,25)/b6-4-
InChIKeyPKNDIYPTLKJLKR-XQRVVYSFSA-N
MW379.26 g/mol
LogP3.36
Rot. Bonds3

About 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 169154006) has the molecular formula C14H11F6N5O and a molecular weight of 379.26 g/mol. Its IUPAC name is 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID169154006
Molecular FormulaC14H11F6N5O
Molecular Weight379.26 g/mol
Exact Mass379.09
IUPAC Name5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESC/C(N)=C/c1nc(N)nnc1-c1ccc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C14H11F6N5O/c1-6(21)4-9-11(24-25-12(22)23-9)8-3-2-7(13(15,16)17)5-10(8)26-14(18,19)20/h2-5H,21H2,1H3,(H2,22,23,25)/b6-4-
InChIKeyPKNDIYPTLKJLKR-XQRVVYSFSA-N
XLogP3.36
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 169154006) is 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is C/C(N)=C/c1nc(N)nnc1-c1ccc(C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is PKNDIYPTLKJLKR-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H11F6N5O/c1-6(21)4-9-11(24-25-12(22)23-9)8-3-2-7(13(15,16)17)5-10(8)26-14(18,19)20/h2-5H,21H2,1H3,(H2,22,23,25)/b6-4-.
What are the key properties of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 379.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 169154006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).