3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile

C14H18N6 — CID 84596663

IUPAC3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCCC(CC)n1nc(Nc2nccnc2C#N)cc1C
InChIInChI=1S/C14H18N6/c1-4-11(5-2)20-10(3)8-13(19-20)18-14-12(9-15)16-6-7-17-14/h6-8,11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBRWRQIDHCVSSLK-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.96
Rot. Bonds5

About 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile

3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 84596663) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID84596663
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCCC(CC)n1nc(Nc2nccnc2C#N)cc1C
InChIInChI=1S/C14H18N6/c1-4-11(5-2)20-10(3)8-13(19-20)18-14-12(9-15)16-6-7-17-14/h6-8,11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBRWRQIDHCVSSLK-UHFFFAOYSA-N
XLogP2.96
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 84596663) is 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile is CCC(CC)n1nc(Nc2nccnc2C#N)cc1C.
What is the InChIKey of 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is BRWRQIDHCVSSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-4-11(5-2)20-10(3)8-13(19-20)18-14-12(9-15)16-6-7-17-14/h6-8,11H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 84596663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).