N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine

C12H15FN4 — CID 66205643

IUPACN-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C12H15FN4/c1-9(2)14-7-11-8-17(16-15-11)12-5-3-4-10(13)6-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyUWENLOKMDABCML-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.90
Rot. Bonds4

About N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine

N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66205643) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66205643
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC NameN-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C12H15FN4/c1-9(2)14-7-11-8-17(16-15-11)12-5-3-4-10(13)6-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyUWENLOKMDABCML-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205038
N-[[1-(3-fluoro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66207273
4-ethyl-1-(3-fluorophenyl)triazole
CID 144663333
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
CID 66204268
N-[[2-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 78987310
O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
CID 117167593
N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]methyl]propan-2-amine
CID 66206289
cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen
CID 144663340
N-[[1-(4-bromo-3-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107623521
N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine
CID 66206266
N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 103587741
N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66206254

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine (CID 66205643) is N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(-c2cccc(F)c2)nn1.
What is the InChIKey of N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is UWENLOKMDABCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-9(2)14-7-11-8-17(16-15-11)12-5-3-4-10(13)6-12/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 234.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66205643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).