N-methoxy-N-methyl-1,2,4-triazol-1-amine

C4H8N4O — CID 129180329

IUPACN-methoxy-N-methyl-1,2,4-triazol-1-amine
SMILESCON(C)n1cncn1
InChIInChI=1S/C4H8N4O/c1-7(9-2)8-4-5-3-6-8/h3-4H,1-2H3
InChIKeyBSQUCRQGFDYRQV-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.59
Rot. Bonds2

About N-methoxy-N-methyl-1,2,4-triazol-1-amine

N-methoxy-N-methyl-1,2,4-triazol-1-amine (PubChem CID 129180329) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is N-methoxy-N-methyl-1,2,4-triazol-1-amine.

Molecular Properties

Compound NameN-methoxy-N-methyl-1,2,4-triazol-1-amine
PubChem CID129180329
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC NameN-methoxy-N-methyl-1,2,4-triazol-1-amine
SMILESCON(C)n1cncn1
InChIInChI=1S/C4H8N4O/c1-7(9-2)8-4-5-3-6-8/h3-4H,1-2H3
InChIKeyBSQUCRQGFDYRQV-UHFFFAOYSA-N
XLogP-0.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1,2,4-triazol-1-amine?
The IUPAC name of N-methoxy-N-methyl-1,2,4-triazol-1-amine (CID 129180329) is N-methoxy-N-methyl-1,2,4-triazol-1-amine.
What is the SMILES notation for N-methoxy-N-methyl-1,2,4-triazol-1-amine?
The canonical SMILES for N-methoxy-N-methyl-1,2,4-triazol-1-amine is CON(C)n1cncn1.
What is the InChIKey of N-methoxy-N-methyl-1,2,4-triazol-1-amine?
The InChIKey is BSQUCRQGFDYRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-7(9-2)8-4-5-3-6-8/h3-4H,1-2H3.
What are the key properties of N-methoxy-N-methyl-1,2,4-triazol-1-amine?
N-methoxy-N-methyl-1,2,4-triazol-1-amine has a molecular weight of 128.13 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1,2,4-triazol-1-amine is sourced from PubChem (CID 129180329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).