1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine

C9H18N4 — CID 105359592

IUPAC1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCCCn1cnc(C(C)N)n1
InChIInChI=1S/C9H18N4/c1-3-4-5-6-13-7-11-9(12-13)8(2)10/h7-8H,3-6,10H2,1-2H3
InChIKeyWWEQTIIYKZDUDV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.49
Rot. Bonds5

About 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine

1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105359592) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105359592
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCCCn1cnc(C(C)N)n1
InChIInChI=1S/C9H18N4/c1-3-4-5-6-13-7-11-9(12-13)8(2)10/h7-8H,3-6,10H2,1-2H3
InChIKeyWWEQTIIYKZDUDV-UHFFFAOYSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine (CID 105359592) is 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine is CCCCCn1cnc(C(C)N)n1.
What is the InChIKey of 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is WWEQTIIYKZDUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-4-5-6-13-7-11-9(12-13)8(2)10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine?
1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 182.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105359592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).