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

C11H12N6 — CID 104918240

IUPAC5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCn1ccc(CCNc2cnc(C#N)cn2)n1
InChIInChI=1S/C11H12N6/c1-17-5-3-9(16-17)2-4-13-11-8-14-10(6-12)7-15-11/h3,5,7-8H,2,4H2,1H3,(H,13,15)
InChIKeyAHLVAMVNGRMXDO-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.74
Rot. Bonds4

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

5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 104918240) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID104918240
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCn1ccc(CCNc2cnc(C#N)cn2)n1
InChIInChI=1S/C11H12N6/c1-17-5-3-9(16-17)2-4-13-11-8-14-10(6-12)7-15-11/h3,5,7-8H,2,4H2,1H3,(H,13,15)
InChIKeyAHLVAMVNGRMXDO-UHFFFAOYSA-N
XLogP0.74
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 104626517
5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 79770667
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888
6-N-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 106106850
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 106105393
N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 104626500
5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106377
2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
CID 104626534
5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile
CID 133484099

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile (CID 104918240) is 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile is Cn1ccc(CCNc2cnc(C#N)cn2)n1.
What is the InChIKey of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is AHLVAMVNGRMXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-17-5-3-9(16-17)2-4-13-11-8-14-10(6-12)7-15-11/h3,5,7-8H,2,4H2,1H3,(H,13,15).
What are the key properties of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile?
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104918240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).