8,9-dihydro-7H-purine-6-carbonitrile

C6H5N5 — CID 14642264

IUPAC8,9-dihydro-7H-purine-6-carbonitrile
SMILESN#Cc1ncnc2c1NCN2
InChIInChI=1S/C6H5N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2,9H,3H2,(H,8,10,11)
InChIKeyJRZHZBTYKNOCOR-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.14
Rot. Bonds

About 8,9-dihydro-7H-purine-6-carbonitrile

8,9-dihydro-7H-purine-6-carbonitrile (PubChem CID 14642264) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 8,9-dihydro-7H-purine-6-carbonitrile.

Molecular Properties

Compound Name8,9-dihydro-7H-purine-6-carbonitrile
PubChem CID14642264
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name8,9-dihydro-7H-purine-6-carbonitrile
SMILESN#Cc1ncnc2c1NCN2
InChIInChI=1S/C6H5N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2,9H,3H2,(H,8,10,11)
InChIKeyJRZHZBTYKNOCOR-UHFFFAOYSA-N
XLogP0.14
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-purine-6-carbonitrile?
The IUPAC name of 8,9-dihydro-7H-purine-6-carbonitrile (CID 14642264) is 8,9-dihydro-7H-purine-6-carbonitrile.
What is the SMILES notation for 8,9-dihydro-7H-purine-6-carbonitrile?
The canonical SMILES for 8,9-dihydro-7H-purine-6-carbonitrile is N#Cc1ncnc2c1NCN2.
What is the InChIKey of 8,9-dihydro-7H-purine-6-carbonitrile?
The InChIKey is JRZHZBTYKNOCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2,9H,3H2,(H,8,10,11).
What are the key properties of 8,9-dihydro-7H-purine-6-carbonitrile?
8,9-dihydro-7H-purine-6-carbonitrile has a molecular weight of 147.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-purine-6-carbonitrile is sourced from PubChem (CID 14642264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).