1-(methoxymethyl)-1,2,4-triazol-3-amine

C4H8N4O — CID 26722484

IUPAC1-(methoxymethyl)-1,2,4-triazol-3-amine
SMILESCOCn1cnc(N)n1
InChIInChI=1S/C4H8N4O/c1-9-3-8-2-6-4(5)7-8/h2H,3H2,1H3,(H2,5,7)
InChIKeyDEVALVYCKJZHRY-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.54
Rot. Bonds2

About 1-(methoxymethyl)-1,2,4-triazol-3-amine

1-(methoxymethyl)-1,2,4-triazol-3-amine (PubChem CID 26722484) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-(methoxymethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(methoxymethyl)-1,2,4-triazol-3-amine
PubChem CID26722484
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name1-(methoxymethyl)-1,2,4-triazol-3-amine
SMILESCOCn1cnc(N)n1
InChIInChI=1S/C4H8N4O/c1-9-3-8-2-6-4(5)7-8/h2H,3H2,1H3,(H2,5,7)
InChIKeyDEVALVYCKJZHRY-UHFFFAOYSA-N
XLogP-0.54
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(methoxymethyl)-1,2,4-triazol-3-amine (CID 26722484) is 1-(methoxymethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(methoxymethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(methoxymethyl)-1,2,4-triazol-3-amine is COCn1cnc(N)n1.
What is the InChIKey of 1-(methoxymethyl)-1,2,4-triazol-3-amine?
The InChIKey is DEVALVYCKJZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-9-3-8-2-6-4(5)7-8/h2H,3H2,1H3,(H2,5,7).
What are the key properties of 1-(methoxymethyl)-1,2,4-triazol-3-amine?
1-(methoxymethyl)-1,2,4-triazol-3-amine has a molecular weight of 128.13 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 26722484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).