1,2,4,5-tetrazin-3-ylmethanol

C3H4N4O — CID 130779625

IUPAC1,2,4,5-tetrazin-3-ylmethanol
SMILESOCc1nncnn1
InChIInChI=1S/C3H4N4O/c8-1-3-6-4-2-5-7-3/h2,8H,1H2
InChIKeyNDLSBXOZXYQFFR-UHFFFAOYSA-N
MW112.09 g/mol
LogP-1.24
Rot. Bonds1

About 1,2,4,5-tetrazin-3-ylmethanol

1,2,4,5-tetrazin-3-ylmethanol (PubChem CID 130779625) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is 1,2,4,5-tetrazin-3-ylmethanol.

Molecular Properties

Compound Name1,2,4,5-tetrazin-3-ylmethanol
PubChem CID130779625
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC Name1,2,4,5-tetrazin-3-ylmethanol
SMILESOCc1nncnn1
InChIInChI=1S/C3H4N4O/c8-1-3-6-4-2-5-7-3/h2,8H,1H2
InChIKeyNDLSBXOZXYQFFR-UHFFFAOYSA-N
XLogP-1.24
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4,5-Tetrazin-3-yl)ethanol
CID 58490215
1-(1,2,4,5-Tetrazin-3-yl)ethanol
CID 138971667
[6-(Hydroxymethyl)-1,2,4,5-tetrazin-3-yl]methanol
CID 71476313
(6-Methyl-1,2,4,5-tetrazin-3-yl)methanol
CID 168441477

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrazin-3-ylmethanol?
The IUPAC name of 1,2,4,5-tetrazin-3-ylmethanol (CID 130779625) is 1,2,4,5-tetrazin-3-ylmethanol.
What is the SMILES notation for 1,2,4,5-tetrazin-3-ylmethanol?
The canonical SMILES for 1,2,4,5-tetrazin-3-ylmethanol is OCc1nncnn1.
What is the InChIKey of 1,2,4,5-tetrazin-3-ylmethanol?
The InChIKey is NDLSBXOZXYQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c8-1-3-6-4-2-5-7-3/h2,8H,1H2.
What are the key properties of 1,2,4,5-tetrazin-3-ylmethanol?
1,2,4,5-tetrazin-3-ylmethanol has a molecular weight of 112.09 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrazin-3-ylmethanol is sourced from PubChem (CID 130779625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).