[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride

C6H3ClN4O — CID 164660705

IUPAC[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride
SMILESO=C(Cl)c1cn2cnnc2cn1
InChIInChI=1S/C6H3ClN4O/c7-6(12)4-2-11-3-9-10-5(11)1-8-4/h1-3H
InChIKeyAEVHEPCPHSHABA-UHFFFAOYSA-N
MW182.57 g/mol
LogP0.50
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride

[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride (PubChem CID 164660705) has the molecular formula C6H3ClN4O and a molecular weight of 182.57 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride
PubChem CID164660705
Molecular FormulaC6H3ClN4O
Molecular Weight182.57 g/mol
Exact Mass182.00
IUPAC Name[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride
SMILESO=C(Cl)c1cn2cnnc2cn1
InChIInChI=1S/C6H3ClN4O/c7-6(12)4-2-11-3-9-10-5(11)1-8-4/h1-3H
InChIKeyAEVHEPCPHSHABA-UHFFFAOYSA-N
XLogP0.50
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.57
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride (CID 164660705) is [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride is O=C(Cl)c1cn2cnnc2cn1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride?
The InChIKey is AEVHEPCPHSHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O/c7-6(12)4-2-11-3-9-10-5(11)1-8-4/h1-3H.
What are the key properties of [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride?
[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride has a molecular weight of 182.57 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride is sourced from PubChem (CID 164660705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).