2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine

C10H18N4 — CID 62720706

IUPAC2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine
SMILESCCNCCc1nc(C2CC2)nn1C
InChIInChI=1S/C10H18N4/c1-3-11-7-6-9-12-10(8-4-5-8)13-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeySBOWOMRHMLQIIL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.84
Rot. Bonds5

About 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine

2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine (PubChem CID 62720706) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine
PubChem CID62720706
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine
SMILESCCNCCc1nc(C2CC2)nn1C
InChIInChI=1S/C10H18N4/c1-3-11-7-6-9-12-10(8-4-5-8)13-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeySBOWOMRHMLQIIL-UHFFFAOYSA-N
XLogP0.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.84
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 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine (CID 62720706) is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine is CCNCCc1nc(C2CC2)nn1C.
What is the InChIKey of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
The InChIKey is SBOWOMRHMLQIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-11-7-6-9-12-10(8-4-5-8)13-14(9)2/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 62720706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).