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

C14H20N4 — CID 63999545

IUPAC2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C14H20N4/c1-14(2,15)13-11-18(17-16-13)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,15H2,1-2H3
InChIKeyQEHCVFAYFNGKRZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds5

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

2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine (PubChem CID 63999545) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
PubChem CID63999545
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C14H20N4/c1-14(2,15)13-11-18(17-16-13)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,15H2,1-2H3
InChIKeyQEHCVFAYFNGKRZ-UHFFFAOYSA-N
XLogP2.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pentyltriazol-4-yl)propan-2-amine
CID 63998354
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 63999159
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine
CID 154687583
2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine
CID 63998552
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
3-[1-(3-phenylpropyl)triazol-4-yl]aniline
CID 141429766
4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
CID 59479881
2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
CID 71755859
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine
CID 63999143
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine (CID 63999545) is 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(CCCc2ccccc2)nn1.
What is the InChIKey of 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine?
The InChIKey is QEHCVFAYFNGKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,15)13-11-18(17-16-13)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,15H2,1-2H3.
What are the key properties of 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine?
2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63999545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).