5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile

C9H8N6 — CID 79770667

IUPAC5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCn1ccc(Nc2cnc(C#N)cn2)n1
InChIInChI=1S/C9H8N6/c1-15-3-2-8(14-15)13-9-6-11-7(4-10)5-12-9/h2-3,5-6H,1H3,(H,12,13,14)
InChIKeyVGKYJJWEMDAVRW-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.83
Rot. Bonds2

About 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile

5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 79770667) has the molecular formula C9H8N6 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID79770667
Molecular FormulaC9H8N6
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCn1ccc(Nc2cnc(C#N)cn2)n1
InChIInChI=1S/C9H8N6/c1-15-3-2-8(14-15)13-9-6-11-7(4-10)5-12-9/h2-3,5-6H,1H3,(H,12,13,14)
InChIKeyVGKYJJWEMDAVRW-UHFFFAOYSA-N
XLogP0.83
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 79770667) is 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cn1ccc(Nc2cnc(C#N)cn2)n1.
What is the InChIKey of 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is VGKYJJWEMDAVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c1-15-3-2-8(14-15)13-9-6-11-7(4-10)5-12-9/h2-3,5-6H,1H3,(H,12,13,14).
What are the key properties of 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile?
5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 79770667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).