5-(methoxymethyl)-1H-1,2,4-triazole

C4H7N3O — CID 21443942

IUPAC5-(methoxymethyl)-1H-1,2,4-triazole
SMILESCOCc1ncn[nH]1
InChIInChI=1S/C4H7N3O/c1-8-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKeyYWXPPKJKSSLZOD-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds2

About 5-(methoxymethyl)-1H-1,2,4-triazole

5-(methoxymethyl)-1H-1,2,4-triazole (PubChem CID 21443942) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-(methoxymethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1H-1,2,4-triazole
PubChem CID21443942
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name5-(methoxymethyl)-1H-1,2,4-triazole
SMILESCOCc1ncn[nH]1
InChIInChI=1S/C4H7N3O/c1-8-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKeyYWXPPKJKSSLZOD-UHFFFAOYSA-N
XLogP-0.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(methoxymethyl)-1H-1,2,4-triazole (CID 21443942) is 5-(methoxymethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(methoxymethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(methoxymethyl)-1H-1,2,4-triazole is COCc1ncn[nH]1.
What is the InChIKey of 5-(methoxymethyl)-1H-1,2,4-triazole?
The InChIKey is YWXPPKJKSSLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-8-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7).
What are the key properties of 5-(methoxymethyl)-1H-1,2,4-triazole?
5-(methoxymethyl)-1H-1,2,4-triazole has a molecular weight of 113.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 21443942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).