N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine

C8H16N4O — CID 62563307

IUPACN-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCOCCNCC(C)n1cncn1
InChIInChI=1S/C8H16N4O/c1-8(5-9-3-4-13-2)12-7-10-6-11-12/h6-9H,3-5H2,1-2H3
InChIKeyYCHSWGLTXZYTML-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.08
Rot. Bonds6

About N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine

N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 62563307) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID62563307
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCOCCNCC(C)n1cncn1
InChIInChI=1S/C8H16N4O/c1-8(5-9-3-4-13-2)12-7-10-6-11-12/h6-9H,3-5H2,1-2H3
InChIKeyYCHSWGLTXZYTML-UHFFFAOYSA-N
XLogP0.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine (CID 62563307) is N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine is COCCNCC(C)n1cncn1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is YCHSWGLTXZYTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(5-9-3-4-13-2)12-7-10-6-11-12/h6-9H,3-5H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 184.24 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 62563307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).