3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine

C13H18N4 — CID 106220698

IUPAC3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(CCc2ccccc2)nn1
InChIInChI=1S/C13H18N4/c14-9-4-7-13-11-17(16-15-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,14H2
InChIKeyLIWDRDZMZZFXFW-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.41
Rot. Bonds6

About 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine

3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine (PubChem CID 106220698) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
PubChem CID106220698
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(CCc2ccccc2)nn1
InChIInChI=1S/C13H18N4/c14-9-4-7-13-11-17(16-15-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,14H2
InChIKeyLIWDRDZMZZFXFW-UHFFFAOYSA-N
XLogP1.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877
4-(2-chloroethyl)-1-(2-phenylethyl)triazole
CID 62401597
3-[1-[2-(4-nitrophenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106221490
4-(3-chloropropyl)-1-(4-phenylbutyl)triazole
CID 114334578
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]butan-1-amine
CID 113424691
3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220806
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
bis[[1-(2-phenylethyl)triazol-4-yl]methyl] propanedioate
CID 70688213
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine (CID 106220698) is 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine is NCCCc1cn(CCc2ccccc2)nn1.
What is the InChIKey of 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
The InChIKey is LIWDRDZMZZFXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-9-4-7-13-11-17(16-15-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,14H2.
What are the key properties of 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).