1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol

C5H8N4O — CID 122441495

IUPAC1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol
SMILESCc1nnc(C(C)O)nn1
InChIInChI=1S/C5H8N4O/c1-3(10)5-8-6-4(2)7-9-5/h3,10H,1-2H3
InChIKeyJKDRUEIILDCHHC-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.37
Rot. Bonds1

About 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol

1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol (PubChem CID 122441495) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol
PubChem CID122441495
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol
SMILESCc1nnc(C(C)O)nn1
InChIInChI=1S/C5H8N4O/c1-3(10)5-8-6-4(2)7-9-5/h3,10H,1-2H3
InChIKeyJKDRUEIILDCHHC-UHFFFAOYSA-N
XLogP-0.37
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol?
The IUPAC name of 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol (CID 122441495) is 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol.
What is the SMILES notation for 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol?
The canonical SMILES for 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol is Cc1nnc(C(C)O)nn1.
What is the InChIKey of 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol?
The InChIKey is JKDRUEIILDCHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3(10)5-8-6-4(2)7-9-5/h3,10H,1-2H3.
What are the key properties of 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol?
1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol has a molecular weight of 140.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,2,4,5-tetrazin-3-yl)ethanol is sourced from PubChem (CID 122441495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).