[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

C12H13F2N5O2 — CID 80911575

IUPAC[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H13F2N5O2/c1-2-5-20-11-16-10(19-15)17-12(18-11)21-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5,15H2,1H3,(H,16,17,18,19)
InChIKeyKVEKFXLDLJNLKO-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.02
Rot. Bonds6

About [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80911575) has the molecular formula C12H13F2N5O2 and a molecular weight of 297.27 g/mol. Its IUPAC name is [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80911575
Molecular FormulaC12H13F2N5O2
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H13F2N5O2/c1-2-5-20-11-16-10(19-15)17-12(18-11)21-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5,15H2,1H3,(H,16,17,18,19)
InChIKeyKVEKFXLDLJNLKO-UHFFFAOYSA-N
XLogP2.02
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915901
[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80924065
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024
[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 116806821
[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80921400
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80925336
[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 114677402
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
N-(2-bromo-4-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80912510
N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911666

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80911575) is [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is KVEKFXLDLJNLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O2/c1-2-5-20-11-16-10(19-15)17-12(18-11)21-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5,15H2,1H3,(H,16,17,18,19).
What are the key properties of [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 297.27 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80911575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).