[4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate

C12H8N6O2 — CID 16551468

IUPAC[4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(-n2cnnn2)cc1)c1cnccn1
InChIInChI=1S/C12H8N6O2/c19-12(11-7-13-5-6-14-11)20-10-3-1-9(2-4-10)18-8-15-16-17-18/h1-8H
InChIKeyAONLHPQBMXSCPO-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.67
Rot. Bonds3

About [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate

[4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate (PubChem CID 16551468) has the molecular formula C12H8N6O2 and a molecular weight of 268.24 g/mol. Its IUPAC name is [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate
PubChem CID16551468
Molecular FormulaC12H8N6O2
Molecular Weight268.24 g/mol
Exact Mass268.07
IUPAC Name[4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(-n2cnnn2)cc1)c1cnccn1
InChIInChI=1S/C12H8N6O2/c19-12(11-7-13-5-6-14-11)20-10-3-1-9(2-4-10)18-8-15-16-17-18/h1-8H
InChIKeyAONLHPQBMXSCPO-UHFFFAOYSA-N
XLogP0.67
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(pyrazine-2-carbonyloxy)phenyl]sulfanylphenyl] pyrazine-2-carboxylate
CID 18077188
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
[4-(tetrazol-1-yl)phenyl] 5-methylthiophene-2-carboxylate
CID 26241893
N-(1-pyrazin-2-ylpropan-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 91782196
[4-(tetrazol-1-yl)phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 29438607
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate
CID 4815617
[4-(tetrazol-1-yl)phenyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 39948632
[4-(tetrazol-1-yl)phenyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 27674834
[4-(tetrazol-1-yl)phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 4815623
[4-(tetrazol-1-yl)phenyl] trifluoromethanesulfonate
CID 88559232
[3-(tetrazol-1-yl)phenyl] 4-fluorobenzoate
CID 1157241

Frequently Asked Questions

What is the IUPAC name of [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate?
The IUPAC name of [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate (CID 16551468) is [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate.
What is the SMILES notation for [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate?
The canonical SMILES for [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate is O=C(Oc1ccc(-n2cnnn2)cc1)c1cnccn1.
What is the InChIKey of [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate?
The InChIKey is AONLHPQBMXSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O2/c19-12(11-7-13-5-6-14-11)20-10-3-1-9(2-4-10)18-8-15-16-17-18/h1-8H.
What are the key properties of [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate?
[4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate has a molecular weight of 268.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate is sourced from PubChem (CID 16551468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).