[6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol

C4H6N4O2 — CID 71476313

IUPAC[6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol
SMILESOCc1nnc(CO)nn1
InChIInChI=1S/C4H6N4O2/c9-1-3-5-7-4(2-10)8-6-3/h9-10H,1-2H2
InChIKeyWPHNNAOPAZZUPA-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.75
Rot. Bonds2

About [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol

[6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol (PubChem CID 71476313) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol
PubChem CID71476313
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name[6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol
SMILESOCc1nnc(CO)nn1
InChIInChI=1S/C4H6N4O2/c9-1-3-5-7-4(2-10)8-6-3/h9-10H,1-2H2
InChIKeyWPHNNAOPAZZUPA-UHFFFAOYSA-N
XLogP-1.75
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol (CID 71476313) is [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol is OCc1nnc(CO)nn1.
What is the InChIKey of [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol?
The InChIKey is WPHNNAOPAZZUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c9-1-3-5-7-4(2-10)8-6-3/h9-10H,1-2H2.
What are the key properties of [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol?
[6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol has a molecular weight of 142.12 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol is sourced from PubChem (CID 71476313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).