1-methoxy-4,5-dihydrotriazole

C3H7N3O — CID 122637741

IUPAC1-methoxy-4,5-dihydrotriazole
SMILESCON1CCN=N1
InChIInChI=1S/C3H7N3O/c1-7-6-3-2-4-5-6/h2-3H2,1H3
InChIKeyLRYJCZLBGFMICE-UHFFFAOYSA-N
MW101.11 g/mol
LogP0.23
Rot. Bonds1

About 1-methoxy-4,5-dihydrotriazole

1-methoxy-4,5-dihydrotriazole (PubChem CID 122637741) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is 1-methoxy-4,5-dihydrotriazole.

Molecular Properties

Compound Name1-methoxy-4,5-dihydrotriazole
PubChem CID122637741
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name1-methoxy-4,5-dihydrotriazole
SMILESCON1CCN=N1
InChIInChI=1S/C3H7N3O/c1-7-6-3-2-4-5-6/h2-3H2,1H3
InChIKeyLRYJCZLBGFMICE-UHFFFAOYSA-N
XLogP0.23
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,5-dihydrotriazole?
The IUPAC name of 1-methoxy-4,5-dihydrotriazole (CID 122637741) is 1-methoxy-4,5-dihydrotriazole.
What is the SMILES notation for 1-methoxy-4,5-dihydrotriazole?
The canonical SMILES for 1-methoxy-4,5-dihydrotriazole is CON1CCN=N1.
What is the InChIKey of 1-methoxy-4,5-dihydrotriazole?
The InChIKey is LRYJCZLBGFMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O/c1-7-6-3-2-4-5-6/h2-3H2,1H3.
What are the key properties of 1-methoxy-4,5-dihydrotriazole?
1-methoxy-4,5-dihydrotriazole has a molecular weight of 101.11 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,5-dihydrotriazole is sourced from PubChem (CID 122637741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).