2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine

C12H16N4 — CID 126724010

IUPAC2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine
SMILESCCC(C)c1cnc(-n2cc(C)cn2)cn1
InChIInChI=1S/C12H16N4/c1-4-10(3)11-6-14-12(7-13-11)16-8-9(2)5-15-16/h5-8,10H,4H2,1-3H3
InChIKeyMEJVZPMZFKBCQX-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.48
Rot. Bonds3

About 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine

2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine (PubChem CID 126724010) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine
PubChem CID126724010
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine
SMILESCCC(C)c1cnc(-n2cc(C)cn2)cn1
InChIInChI=1S/C12H16N4/c1-4-10(3)11-6-14-12(7-13-11)16-8-9(2)5-15-16/h5-8,10H,4H2,1-3H3
InChIKeyMEJVZPMZFKBCQX-UHFFFAOYSA-N
XLogP2.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine (CID 126724010) is 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine is CCC(C)c1cnc(-n2cc(C)cn2)cn1.
What is the InChIKey of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
The InChIKey is MEJVZPMZFKBCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-10(3)11-6-14-12(7-13-11)16-8-9(2)5-15-16/h5-8,10H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine has a molecular weight of 216.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 126724010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).