[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol

C5H9N3O2 — CID 79600717

IUPAC[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol
SMILESCOCc1nc(CO)n[nH]1
InChIInChI=1S/C5H9N3O2/c1-10-3-5-6-4(2-9)7-8-5/h9H,2-3H2,1H3,(H,6,7,8)
InChIKeyCGFWLOJDEMSVGK-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.56
Rot. Bonds3

About [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol

[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol (PubChem CID 79600717) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol
PubChem CID79600717
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol
SMILESCOCc1nc(CO)n[nH]1
InChIInChI=1S/C5H9N3O2/c1-10-3-5-6-4(2-9)7-8-5/h9H,2-3H2,1H3,(H,6,7,8)
InChIKeyCGFWLOJDEMSVGK-UHFFFAOYSA-N
XLogP-0.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.56
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-yl]methanol?
The IUPAC name of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol (CID 79600717) is [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol is COCc1nc(CO)n[nH]1.
What is the InChIKey of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol?
The InChIKey is CGFWLOJDEMSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-10-3-5-6-4(2-9)7-8-5/h9H,2-3H2,1H3,(H,6,7,8).
What are the key properties of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol?
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol has a molecular weight of 143.15 g/mol, XLogP of -0.56, 3 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-yl]methanol is sourced from PubChem (CID 79600717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).