1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine

C13H22N6O — CID 106577176

IUPAC1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCCOCCCn1ccnc1NCCc1ncn(C)n1
InChIInChI=1S/C13H22N6O/c1-3-20-10-4-8-19-9-7-15-13(19)14-6-5-12-16-11-18(2)17-12/h7,9,11H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeyYBFNPZVUJQOHGB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds9

About 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine

1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (PubChem CID 106577176) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
PubChem CID106577176
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCCOCCCn1ccnc1NCCc1ncn(C)n1
InChIInChI=1S/C13H22N6O/c1-3-20-10-4-8-19-9-7-15-13(19)14-6-5-12-16-11-18(2)17-12/h7,9,11H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeyYBFNPZVUJQOHGB-UHFFFAOYSA-N
XLogP1.09
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (CID 106577176) is 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is CCOCCCn1ccnc1NCCc1ncn(C)n1.
What is the InChIKey of 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The InChIKey is YBFNPZVUJQOHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-3-20-10-4-8-19-9-7-15-13(19)14-6-5-12-16-11-18(2)17-12/h7,9,11H,3-6,8,10H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine has a molecular weight of 278.36 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106577176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).