1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine

C13H16N6 — CID 143420550

IUPAC1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine
SMILESCc1ccn(C2=CN(C)CC(n3ccc(C)n3)=N2)n1
InChIInChI=1S/C13H16N6/c1-10-4-6-18(15-10)12-8-17(3)9-13(14-12)19-7-5-11(2)16-19/h4-8H,9H2,1-3H3
InChIKeyYBGRFHLKROUGBB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.34
Rot. Bonds1

About 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine

1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine (PubChem CID 143420550) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine.

Molecular Properties

Compound Name1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine
PubChem CID143420550
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine
SMILESCc1ccn(C2=CN(C)CC(n3ccc(C)n3)=N2)n1
InChIInChI=1S/C13H16N6/c1-10-4-6-18(15-10)12-8-17(3)9-13(14-12)19-7-5-11(2)16-19/h4-8H,9H2,1-3H3
InChIKeyYBGRFHLKROUGBB-UHFFFAOYSA-N
XLogP1.34
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine?
The IUPAC name of 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine (CID 143420550) is 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine.
What is the SMILES notation for 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine?
The canonical SMILES for 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine is Cc1ccn(C2=CN(C)CC(n3ccc(C)n3)=N2)n1.
What is the InChIKey of 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine?
The InChIKey is YBGRFHLKROUGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-10-4-6-18(15-10)12-8-17(3)9-13(14-12)19-7-5-11(2)16-19/h4-8H,9H2,1-3H3.
What are the key properties of 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine?
1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine has a molecular weight of 256.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(3-methylpyrazol-1-yl)-2H-pyrazine is sourced from PubChem (CID 143420550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).