N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine

C7H14N4O — CID 112596951

IUPACN,4-diethyl-5-methoxy-1,2,4-triazol-3-amine
SMILESCCNc1nnc(OC)n1CC
InChIInChI=1S/C7H14N4O/c1-4-8-6-9-10-7(12-3)11(6)5-2/h4-5H2,1-3H3,(H,8,9)
InChIKeyMNXQRTKKTBNRKU-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.74
Rot. Bonds4

About N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine

N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine (PubChem CID 112596951) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-methoxy-1,2,4-triazol-3-amine
PubChem CID112596951
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN,4-diethyl-5-methoxy-1,2,4-triazol-3-amine
SMILESCCNc1nnc(OC)n1CC
InChIInChI=1S/C7H14N4O/c1-4-8-6-9-10-7(12-3)11(6)5-2/h4-5H2,1-3H3,(H,8,9)
InChIKeyMNXQRTKKTBNRKU-UHFFFAOYSA-N
XLogP0.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,4-diethyl-5-methoxy-1,2,4-triazol-3-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 N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine (CID 112596951) is N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine is CCNc1nnc(OC)n1CC.
What is the InChIKey of N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine?
The InChIKey is MNXQRTKKTBNRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4-8-6-9-10-7(12-3)11(6)5-2/h4-5H2,1-3H3,(H,8,9).
What are the key properties of N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine?
N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).