5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C7H14N4O — CID 112596487

IUPAC5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(CCOC)n1C
InChIInChI=1S/C7H14N4O/c1-8-7-10-9-6(11(7)2)4-5-12-3/h4-5H2,1-3H3,(H,8,10)
InChIKeyFVAHZAILBAYNRB-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.05
Rot. Bonds4

About 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596487) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596487
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(CCOC)n1C
InChIInChI=1S/C7H14N4O/c1-8-7-10-9-6(11(7)2)4-5-12-3/h4-5H2,1-3H3,(H,8,10)
InChIKeyFVAHZAILBAYNRB-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596487) is 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(CCOC)n1C.
What is the InChIKey of 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is FVAHZAILBAYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-8-7-10-9-6(11(7)2)4-5-12-3/h4-5H2,1-3H3,(H,8,10).
What are the key properties of 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).