[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

C14H20FN5 — CID 105204839

IUPAC[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCCCn1ncnc1CC(Cc1cccc(F)c1)NN
InChIInChI=1S/C14H20FN5/c1-2-6-20-14(17-10-18-20)9-13(19-16)8-11-4-3-5-12(15)7-11/h3-5,7,10,13,19H,2,6,8-9,16H2,1H3
InChIKeyNQCAMFMHESBBAY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.44
Rot. Bonds7

About [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105204839) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
PubChem CID105204839
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCCCn1ncnc1CC(Cc1cccc(F)c1)NN
InChIInChI=1S/C14H20FN5/c1-2-6-20-14(17-10-18-20)9-13(19-16)8-11-4-3-5-12(15)7-11/h3-5,7,10,13,19H,2,6,8-9,16H2,1H3
InChIKeyNQCAMFMHESBBAY-UHFFFAOYSA-N
XLogP1.44
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[1-(3-methoxyphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105205278
2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 66057605
[1-(4-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105236753
[1-(2-propyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211942
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105319094
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
[1-(3-methylphenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209011
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204664
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (CID 105204839) is [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is CCCn1ncnc1CC(Cc1cccc(F)c1)NN.
What is the InChIKey of [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is NQCAMFMHESBBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-2-6-20-14(17-10-18-20)9-13(19-16)8-11-4-3-5-12(15)7-11/h3-5,7,10,13,19H,2,6,8-9,16H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 277.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105204839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).