5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine

C14H15F2N5O — CID 169154002

IUPAC5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine
SMILESC/C(N)=C/c1nc(N)nnc1-c1ccc(C)cc1OC(F)F
InChIInChI=1S/C14H15F2N5O/c1-7-3-4-9(11(5-7)22-13(15)16)12-10(6-8(2)17)19-14(18)21-20-12/h3-6,13H,17H2,1-2H3,(H2,18,19,21)/b8-6-
InChIKeySYZZZIFOASLHQA-VURMDHGXSA-N
MW307.30 g/mol
LogP2.35
Rot. Bonds4

About 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine

5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine (PubChem CID 169154002) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine
PubChem CID169154002
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine
SMILESC/C(N)=C/c1nc(N)nnc1-c1ccc(C)cc1OC(F)F
InChIInChI=1S/C14H15F2N5O/c1-7-3-4-9(11(5-7)22-13(15)16)12-10(6-8(2)17)19-14(18)21-20-12/h3-6,13H,17H2,1-2H3,(H2,18,19,21)/b8-6-
InChIKeySYZZZIFOASLHQA-VURMDHGXSA-N
XLogP2.35
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(3-Methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1248524
3,5-Diamino-6-[3,4-dimethoxyphenyl]-1,2,4-triazine
CID 618983
as-Triazine, 5,6-bis(o-methoxyphenyl)-
CID 24847126
2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099131
2-[3-[1-(3-Hydroxyphenyl)ethylamino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763674
6-(2-Methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
5-[2-(Difluoromethoxy)phenyl]-1,2,4-triazin-3-amine
CID 43134491
6-(3-Trifluoromethoxyphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353237
6-[4-Methoxy-3-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53353415
6-[3-Methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53353513
6-[3-Ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53353514
6-[2-Methoxy-6-(trifluoromethyl)pyridin-4-yl]-5-phenyl-1,2,4-triazin-3-amine
CID 53353519

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine (CID 169154002) is 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine is C/C(N)=C/c1nc(N)nnc1-c1ccc(C)cc1OC(F)F.
What is the InChIKey of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine?
The InChIKey is SYZZZIFOASLHQA-VURMDHGXSA-N. The full InChI is InChI=1S/C14H15F2N5O/c1-7-3-4-9(11(5-7)22-13(15)16)12-10(6-8(2)17)19-14(18)21-20-12/h3-6,13H,17H2,1-2H3,(H2,18,19,21)/b8-6-.
What are the key properties of 5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine?
5-[(Z)-2-aminoprop-1-enyl]-6-[2-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine has a molecular weight of 307.30 g/mol, XLogP of 2.35, 4 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-(difluoromethoxy)-4-methylphenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 169154002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).