2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine

C7H15N5 — CID 115460282

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
SMILESCCNCCn1cc(CN)nn1
InChIInChI=1S/C7H15N5/c1-2-9-3-4-12-6-7(5-8)10-11-12/h6,9H,2-5,8H2,1H3
InChIKeyOROYWHIHEHYSAH-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.65
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine

2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine (PubChem CID 115460282) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
PubChem CID115460282
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
SMILESCCNCCn1cc(CN)nn1
InChIInChI=1S/C7H15N5/c1-2-9-3-4-12-6-7(5-8)10-11-12/h6,9H,2-5,8H2,1H3
InChIKeyOROYWHIHEHYSAH-UHFFFAOYSA-N
XLogP-0.65
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 113314274
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
CID 115460313
[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
CID 62455320
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 113314267
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N'-hexan-3-ylpropane-1,3-diamine
CID 145051848
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
CID 170201876
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine
CID 62433554

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine (CID 115460282) is 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine is CCNCCn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine?
The InChIKey is OROYWHIHEHYSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-2-9-3-4-12-6-7(5-8)10-11-12/h6,9H,2-5,8H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine?
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine has a molecular weight of 169.23 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine is sourced from PubChem (CID 115460282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).