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

C13H18N4 — CID 106227563

IUPAC1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C13H18N4/c1-2-12(14)13-10-17(16-15-13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9,14H2,1H3
InChIKeyAAEZSJXOIPTUGG-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.93
Rot. Bonds5

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

1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine (PubChem CID 106227563) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
PubChem CID106227563
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C13H18N4/c1-2-12(14)13-10-17(16-15-13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9,14H2,1H3
InChIKeyAAEZSJXOIPTUGG-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227723
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698
4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide
CID 106228225
1-[4-[4-(2-phenylethyl)triazol-1-yl]phenyl]propan-1-amine
CID 70668600
1-[1-[(4-nitrophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227889

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine (CID 106227563) is 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine is CCC(N)c1cn(CCc2ccccc2)nn1.
What is the InChIKey of 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
The InChIKey is AAEZSJXOIPTUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-12(14)13-10-17(16-15-13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9,14H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine?
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).