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

C9H8N4O — CID 58490205

IUPAC[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C9H8N4O/c14-5-7-1-3-8(4-2-7)9-12-10-6-11-13-9/h1-4,6,14H,5H2
InChIKeyDGAQXVLUQBVTTN-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.43
Rot. Bonds2

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

[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol (PubChem CID 58490205) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol
PubChem CID58490205
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C9H8N4O/c14-5-7-1-3-8(4-2-7)9-12-10-6-11-13-9/h1-4,6,14H,5H2
InChIKeyDGAQXVLUQBVTTN-UHFFFAOYSA-N
XLogP0.43
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol?
The IUPAC name of [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol (CID 58490205) is [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol.
What is the SMILES notation for [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol?
The canonical SMILES for [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol is OCc1ccc(-c2nncnn2)cc1.
What is the InChIKey of [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol?
The InChIKey is DGAQXVLUQBVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-5-7-1-3-8(4-2-7)9-12-10-6-11-13-9/h1-4,6,14H,5H2.
What are the key properties of [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol?
[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol has a molecular weight of 188.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanol is sourced from PubChem (CID 58490205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).