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

C4H8N4O — CID 3794450

IUPAC5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
SMILESCOCc1nc(N)n[nH]1
InChIInChI=1S/C4H8N4O/c1-9-2-3-6-4(5)8-7-3/h2H2,1H3,(H3,5,6,7,8)
InChIKeyHYLMHQTVTUXWRX-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.47
Rot. Bonds2

About 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine

5-(methoxymethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 3794450) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
PubChem CID3794450
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
SMILESCOCc1nc(N)n[nH]1
InChIInChI=1S/C4H8N4O/c1-9-2-3-6-4(5)8-7-3/h2H2,1H3,(H3,5,6,7,8)
InChIKeyHYLMHQTVTUXWRX-UHFFFAOYSA-N
XLogP-0.47
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine (CID 3794450) is 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine is COCc1nc(N)n[nH]1.
What is the InChIKey of 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is HYLMHQTVTUXWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-9-2-3-6-4(5)8-7-3/h2H2,1H3,(H3,5,6,7,8).
What are the key properties of 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
5-(methoxymethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 128.13 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3794450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).