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

C4H7N3O — CID 57102557

IUPAC4-(methoxymethyl)-1,2,4-triazole
SMILESCOCn1cnnc1
InChIInChI=1S/C4H7N3O/c1-8-4-7-2-5-6-3-7/h2-3H,4H2,1H3
InChIKeyRUWPMPACFPPVHO-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.12
Rot. Bonds2

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

4-(methoxymethyl)-1,2,4-triazole (PubChem CID 57102557) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(methoxymethyl)-1,2,4-triazole
PubChem CID57102557
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4-(methoxymethyl)-1,2,4-triazole
SMILESCOCn1cnnc1
InChIInChI=1S/C4H7N3O/c1-8-4-7-2-5-6-3-7/h2-3H,4H2,1H3
InChIKeyRUWPMPACFPPVHO-UHFFFAOYSA-N
XLogP-0.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,2,4-triazole?
The IUPAC name of 4-(methoxymethyl)-1,2,4-triazole (CID 57102557) is 4-(methoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(methoxymethyl)-1,2,4-triazole?
The canonical SMILES for 4-(methoxymethyl)-1,2,4-triazole is COCn1cnnc1.
What is the InChIKey of 4-(methoxymethyl)-1,2,4-triazole?
The InChIKey is RUWPMPACFPPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-8-4-7-2-5-6-3-7/h2-3H,4H2,1H3.
What are the key properties of 4-(methoxymethyl)-1,2,4-triazole?
4-(methoxymethyl)-1,2,4-triazole has a molecular weight of 113.12 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 57102557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).