[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine

C14H20N4 — CID 82208944

IUPAC[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1CCCc1ccccc1
InChIInChI=1S/C14H20N4/c1-2-14-13(11-15)16-17-18(14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11,15H2,1H3
InChIKeyJZDGPNGDAKLBJC-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.93
Rot. Bonds6

About [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine

[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine (PubChem CID 82208944) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
PubChem CID82208944
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1CCCc1ccccc1
InChIInChI=1S/C14H20N4/c1-2-14-13(11-15)16-17-18(14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11,15H2,1H3
InChIKeyJZDGPNGDAKLBJC-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
5-ethyl-1-(4-phenylbutyl)triazole-4-carboxylic acid
CID 114334537
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82208955
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine
CID 82209561
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
CID 82203818
5-methyl-1-(4-phenylbutyl)triazol-4-amine
CID 114335029
5-(2-phenylethyl)-1-(3-phenylpropyl)triazole-4-carbaldehyde
CID 94944858

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine (CID 82208944) is [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine is CCc1c(CN)nnn1CCCc1ccccc1.
What is the InChIKey of [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine?
The InChIKey is JZDGPNGDAKLBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-14-13(11-15)16-17-18(14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11,15H2,1H3.
What are the key properties of [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine?
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82208944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).