2,6-diaminopyridine-4-carbonitrile

C6H6N4 — CID 55284821

IUPAC2,6-diaminopyridine-4-carbonitrile
SMILESN#Cc1cc(N)nc(N)c1
InChIInChI=1S/C6H6N4/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,(H4,8,9,10)
InChIKeyYQLMHNIURPWECW-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.12
Rot. Bonds

About 2,6-diaminopyridine-4-carbonitrile

2,6-diaminopyridine-4-carbonitrile (PubChem CID 55284821) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2,6-diaminopyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-diaminopyridine-4-carbonitrile
PubChem CID55284821
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name2,6-diaminopyridine-4-carbonitrile
SMILESN#Cc1cc(N)nc(N)c1
InChIInChI=1S/C6H6N4/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,(H4,8,9,10)
InChIKeyYQLMHNIURPWECW-UHFFFAOYSA-N
XLogP0.12
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diaminopyridine-4-carbonitrile?
The IUPAC name of 2,6-diaminopyridine-4-carbonitrile (CID 55284821) is 2,6-diaminopyridine-4-carbonitrile.
What is the SMILES notation for 2,6-diaminopyridine-4-carbonitrile?
The canonical SMILES for 2,6-diaminopyridine-4-carbonitrile is N#Cc1cc(N)nc(N)c1.
What is the InChIKey of 2,6-diaminopyridine-4-carbonitrile?
The InChIKey is YQLMHNIURPWECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,(H4,8,9,10).
What are the key properties of 2,6-diaminopyridine-4-carbonitrile?
2,6-diaminopyridine-4-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminopyridine-4-carbonitrile is sourced from PubChem (CID 55284821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).