2-methoxy-6-(1H-pyrazol-4-yl)pyrazine

C8H8N4O — CID 139343527

IUPAC2-methoxy-6-(1H-pyrazol-4-yl)pyrazine
SMILESCOc1cncc(-c2cn[nH]c2)n1
InChIInChI=1S/C8H8N4O/c1-13-8-5-9-4-7(12-8)6-2-10-11-3-6/h2-5H,1H3,(H,10,11)
InChIKeyBOXFTVXCZFHSIW-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.88
Rot. Bonds2

About 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine

2-methoxy-6-(1H-pyrazol-4-yl)pyrazine (PubChem CID 139343527) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-methoxy-6-(1H-pyrazol-4-yl)pyrazine
PubChem CID139343527
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-methoxy-6-(1H-pyrazol-4-yl)pyrazine
SMILESCOc1cncc(-c2cn[nH]c2)n1
InChIInChI=1S/C8H8N4O/c1-13-8-5-9-4-7(12-8)6-2-10-11-3-6/h2-5H,1H3,(H,10,11)
InChIKeyBOXFTVXCZFHSIW-UHFFFAOYSA-N
XLogP0.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine?
The IUPAC name of 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine (CID 139343527) is 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine?
The canonical SMILES for 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine is COc1cncc(-c2cn[nH]c2)n1.
What is the InChIKey of 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine?
The InChIKey is BOXFTVXCZFHSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-13-8-5-9-4-7(12-8)6-2-10-11-3-6/h2-5H,1H3,(H,10,11).
What are the key properties of 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine?
2-methoxy-6-(1H-pyrazol-4-yl)pyrazine has a molecular weight of 176.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(1H-pyrazol-4-yl)pyrazine is sourced from PubChem (CID 139343527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).