2-(1-pentyltriazol-4-yl)ethanamine

C9H18N4 — CID 116641934

IUPAC2-(1-pentyltriazol-4-yl)ethanamine
SMILESCCCCCn1cc(CCN)nn1
InChIInChI=1S/C9H18N4/c1-2-3-4-7-13-8-9(5-6-10)11-12-13/h8H,2-7,10H2,1H3
InChIKeyHILZKRDIMOWFQI-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.97
Rot. Bonds6

About 2-(1-pentyltriazol-4-yl)ethanamine

2-(1-pentyltriazol-4-yl)ethanamine (PubChem CID 116641934) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1-pentyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-pentyltriazol-4-yl)ethanamine
PubChem CID116641934
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-(1-pentyltriazol-4-yl)ethanamine
SMILESCCCCCn1cc(CCN)nn1
InChIInChI=1S/C9H18N4/c1-2-3-4-7-13-8-9(5-6-10)11-12-13/h8H,2-7,10H2,1H3
InChIKeyHILZKRDIMOWFQI-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-pentyltriazol-4-yl)ethanamine (CID 116641934) is 2-(1-pentyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-pentyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-pentyltriazol-4-yl)ethanamine is CCCCCn1cc(CCN)nn1.
What is the InChIKey of 2-(1-pentyltriazol-4-yl)ethanamine?
The InChIKey is HILZKRDIMOWFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-2-3-4-7-13-8-9(5-6-10)11-12-13/h8H,2-7,10H2,1H3.
What are the key properties of 2-(1-pentyltriazol-4-yl)ethanamine?
2-(1-pentyltriazol-4-yl)ethanamine has a molecular weight of 182.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentyltriazol-4-yl)ethanamine is sourced from PubChem (CID 116641934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).