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

C5H10N4O — CID 112596602

IUPAC5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(OC)n1C
InChIInChI=1S/C5H10N4O/c1-6-4-7-8-5(10-3)9(4)2/h1-3H3,(H,6,7)
InChIKeyJIZYNGRWUIHXOO-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.13
Rot. Bonds2

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

5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596602) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596602
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(OC)n1C
InChIInChI=1S/C5H10N4O/c1-6-4-7-8-5(10-3)9(4)2/h1-3H3,(H,6,7)
InChIKeyJIZYNGRWUIHXOO-UHFFFAOYSA-N
XLogP-0.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596602) is 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(OC)n1C.
What is the InChIKey of 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is JIZYNGRWUIHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-6-4-7-8-5(10-3)9(4)2/h1-3H3,(H,6,7).
What are the key properties of 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 142.16 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).