2,4-diaminopyridine-3-carbonitrile

C6H6N4 — CID 70549080

IUPAC2,4-diaminopyridine-3-carbonitrile
SMILESN#Cc1c(N)ccnc1N
InChIInChI=1S/C6H6N4/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,(H4,8,9,10)
InChIKeyMDLOTQSWMPEUNE-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.12
Rot. Bonds

About 2,4-diaminopyridine-3-carbonitrile

2,4-diaminopyridine-3-carbonitrile (PubChem CID 70549080) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2,4-diaminopyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diaminopyridine-3-carbonitrile
PubChem CID70549080
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name2,4-diaminopyridine-3-carbonitrile
SMILESN#Cc1c(N)ccnc1N
InChIInChI=1S/C6H6N4/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,(H4,8,9,10)
InChIKeyMDLOTQSWMPEUNE-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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Related Compounds

2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
2,4-Diaminopyridine
CID 68036
4-Ethylpyridin-2-amine
CID 118425
4-Methylpyridine-2,3-diamine
CID 317495
4,5-Dimethylpyridin-2-amine
CID 12404013
6-(1,4-Diazepan-1-yl)nicotinonitrile
CID 2747101
4-(Aminomethyl)pyridin-2-amine
CID 34176886
4-N,4-N-dimethylpyridine-2,4-diamine
CID 586354
2-Amino-3-(trifluoromethyl)pyridine
CID 2760920

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminopyridine-3-carbonitrile?
The IUPAC name of 2,4-diaminopyridine-3-carbonitrile (CID 70549080) is 2,4-diaminopyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diaminopyridine-3-carbonitrile?
The canonical SMILES for 2,4-diaminopyridine-3-carbonitrile is N#Cc1c(N)ccnc1N.
What is the InChIKey of 2,4-diaminopyridine-3-carbonitrile?
The InChIKey is MDLOTQSWMPEUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,(H4,8,9,10).
What are the key properties of 2,4-diaminopyridine-3-carbonitrile?
2,4-diaminopyridine-3-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 2,4-diaminopyridine-3-carbonitrile is sourced from PubChem (CID 70549080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).