3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile

C12H12N6 — CID 82817712

IUPAC3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cnc(CNc2nccc(C#N)c2N)cn1
InChIInChI=1S/C12H12N6/c1-8-5-17-10(6-16-8)7-18-12-11(14)9(4-13)2-3-15-12/h2-3,5-6H,7,14H2,1H3,(H,15,18)
InChIKeyLNEIKGZQBRHOBV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds3

About 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile

3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 82817712) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID82817712
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cnc(CNc2nccc(C#N)c2N)cn1
InChIInChI=1S/C12H12N6/c1-8-5-17-10(6-16-8)7-18-12-11(14)9(4-13)2-3-15-12/h2-3,5-6H,7,14H2,1H3,(H,15,18)
InChIKeyLNEIKGZQBRHOBV-UHFFFAOYSA-N
XLogP1.25
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile (CID 82817712) is 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile is Cc1cnc(CNc2nccc(C#N)c2N)cn1.
What is the InChIKey of 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is LNEIKGZQBRHOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-5-17-10(6-16-8)7-18-12-11(14)9(4-13)2-3-15-12/h2-3,5-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).