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

C9H14F3N5O2 — CID 82958871

IUPAC[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2/c1-2-4-18-7-14-6(17-13)15-8(16-7)19-5-3-9(10,11)12/h2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyRVCUGWGVIDZMEO-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.28
Rot. Bonds7

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

[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 82958871) has the molecular formula C9H14F3N5O2 and a molecular weight of 281.24 g/mol. Its IUPAC name is [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
PubChem CID82958871
Molecular FormulaC9H14F3N5O2
Molecular Weight281.24 g/mol
Exact Mass281.11
IUPAC Name[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2/c1-2-4-18-7-14-6(17-13)15-8(16-7)19-5-3-9(10,11)12/h2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyRVCUGWGVIDZMEO-UHFFFAOYSA-N
XLogP1.28
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.28
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-hydrazinyl-N-methyl-6-propoxy-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80924992
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899333
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82794676
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543

Frequently Asked Questions

What is the IUPAC name of [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine (CID 82958871) is [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(OCCC(F)(F)F)n1.
What is the InChIKey of [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is RVCUGWGVIDZMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O2/c1-2-4-18-7-14-6(17-13)15-8(16-7)19-5-3-9(10,11)12/h2-5,13H2,1H3,(H,14,15,16,17).
What are the key properties of [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine?
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 281.24 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 82958871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).