3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine

C12H15FN4 — CID 117167745

IUPAC3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H15FN4/c1-14-8-2-3-11-9-17(16-15-11)12-6-4-10(13)5-7-12/h4-7,9,14H,2-3,8H2,1H3
InChIKeyWNOWNLJQZXSJFT-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.56
Rot. Bonds5

About 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine

3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine (PubChem CID 117167745) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
PubChem CID117167745
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H15FN4/c1-14-8-2-3-11-9-17(16-15-11)12-6-4-10(13)5-7-12/h4-7,9,14H,2-3,8H2,1H3
InChIKeyWNOWNLJQZXSJFT-UHFFFAOYSA-N
XLogP1.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205038
[1-[4-[3-(methylamino)propyl]phenyl]triazol-4-yl]methyl acetate
CID 143417666
2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine
CID 167937278
2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid
CID 83642133
3-[3-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167403
4-butyl-1-phenyltriazole
CID 25191665
4-hexyl-1-(4-methylphenyl)triazole
CID 102278184
4-(4-pentyltriazol-1-yl)phenol
CID 122501204
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 165454549
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167709
1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66206463
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine (CID 117167745) is 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine is CNCCCc1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is WNOWNLJQZXSJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-14-8-2-3-11-9-17(16-15-11)12-6-4-10(13)5-7-12/h4-7,9,14H,2-3,8H2,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine?
3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 234.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 117167745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).