2-(1-prop-2-ynylpyrazol-3-yl)pyrazine

C10H8N4 — CID 121211848

IUPAC2-(1-prop-2-ynylpyrazol-3-yl)pyrazine
SMILESC#CCn1ccc(-c2cnccn2)n1
InChIInChI=1S/C10H8N4/c1-2-6-14-7-3-9(13-14)10-8-11-4-5-12-10/h1,3-5,7-8H,6H2
InChIKeyBRDPTVDIXNJTAI-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.97
Rot. Bonds2

About 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine

2-(1-prop-2-ynylpyrazol-3-yl)pyrazine (PubChem CID 121211848) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(1-prop-2-ynylpyrazol-3-yl)pyrazine
PubChem CID121211848
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-(1-prop-2-ynylpyrazol-3-yl)pyrazine
SMILESC#CCn1ccc(-c2cnccn2)n1
InChIInChI=1S/C10H8N4/c1-2-6-14-7-3-9(13-14)10-8-11-4-5-12-10/h1,3-5,7-8H,6H2
InChIKeyBRDPTVDIXNJTAI-UHFFFAOYSA-N
XLogP0.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine?
The IUPAC name of 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine (CID 121211848) is 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine.
What is the SMILES notation for 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine?
The canonical SMILES for 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine is C#CCn1ccc(-c2cnccn2)n1.
What is the InChIKey of 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine?
The InChIKey is BRDPTVDIXNJTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-6-14-7-3-9(13-14)10-8-11-4-5-12-10/h1,3-5,7-8H,6H2.
What are the key properties of 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine?
2-(1-prop-2-ynylpyrazol-3-yl)pyrazine has a molecular weight of 184.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-ynylpyrazol-3-yl)pyrazine is sourced from PubChem (CID 121211848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).