3-methoxy-1-methyl-1,2,4-triazole

C4H7N3O — CID 23279533

IUPAC3-methoxy-1-methyl-1,2,4-triazole
SMILESCOc1ncn(C)n1
InChIInChI=1S/C4H7N3O/c1-7-3-5-4(6-7)8-2/h3H,1-2H3
InChIKeyACKDIBSCTPBCRK-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.18
Rot. Bonds1

About 3-methoxy-1-methyl-1,2,4-triazole

3-methoxy-1-methyl-1,2,4-triazole (PubChem CID 23279533) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-methoxy-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-1-methyl-1,2,4-triazole
PubChem CID23279533
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name3-methoxy-1-methyl-1,2,4-triazole
SMILESCOc1ncn(C)n1
InChIInChI=1S/C4H7N3O/c1-7-3-5-4(6-7)8-2/h3H,1-2H3
InChIKeyACKDIBSCTPBCRK-UHFFFAOYSA-N
XLogP-0.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-1,2,4-triazole?
The IUPAC name of 3-methoxy-1-methyl-1,2,4-triazole (CID 23279533) is 3-methoxy-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-methoxy-1-methyl-1,2,4-triazole is COc1ncn(C)n1.
What is the InChIKey of 3-methoxy-1-methyl-1,2,4-triazole?
The InChIKey is ACKDIBSCTPBCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-3-5-4(6-7)8-2/h3H,1-2H3.
What are the key properties of 3-methoxy-1-methyl-1,2,4-triazole?
3-methoxy-1-methyl-1,2,4-triazole has a molecular weight of 113.12 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-1,2,4-triazole is sourced from PubChem (CID 23279533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).