ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine

C9H18F3N5O — CID 144561783

IUPACethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESCC.COCCCN(N)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H12F3N5O.C2H6/c1-16-4-2-3-15(11)6-12-5(13-14-6)7(8,9)10;1-2/h2-4,11H2,1H3,(H,12,13,14);1-2H3
InChIKeyMOUZVMFPFZYSIL-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.57
Rot. Bonds5

About ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine

ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (PubChem CID 144561783) has the molecular formula C9H18F3N5O and a molecular weight of 269.27 g/mol. Its IUPAC name is ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Nameethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
PubChem CID144561783
Molecular FormulaC9H18F3N5O
Molecular Weight269.27 g/mol
Exact Mass269.15
IUPAC Nameethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESCC.COCCCN(N)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H12F3N5O.C2H6/c1-16-4-2-3-15(11)6-12-5(13-14-6)7(8,9)10;1-2/h2-4,11H2,1H3,(H,12,13,14);1-2H3
InChIKeyMOUZVMFPFZYSIL-UHFFFAOYSA-N
XLogP1.57
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (CID 144561783) is ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is CC.COCCCN(N)c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is MOUZVMFPFZYSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5O.C2H6/c1-16-4-2-3-15(11)6-12-5(13-14-6)7(8,9)10;1-2/h2-4,11H2,1H3,(H,12,13,14);1-2H3.
What are the key properties of ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 269.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 144561783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).