2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

C6H3N5 — CID 58655889

IUPAC2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
SMILESN#Cc1[nH]nc2ncncc12
InChIInChI=1S/C6H3N5/c7-1-5-4-2-8-3-9-6(4)11-10-5/h2-3H,(H,8,9,10,11)
InChIKeyIVUZZGZAKBPNAE-UHFFFAOYSA-N
MW145.12 g/mol
LogP0.22
Rot. Bonds

About 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile (PubChem CID 58655889) has the molecular formula C6H3N5 and a molecular weight of 145.12 g/mol. Its IUPAC name is 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
PubChem CID58655889
Molecular FormulaC6H3N5
Molecular Weight145.12 g/mol
Exact Mass145.04
IUPAC Name2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
SMILESN#Cc1[nH]nc2ncncc12
InChIInChI=1S/C6H3N5/c7-1-5-4-2-8-3-9-6(4)11-10-5/h2-3H,(H,8,9,10,11)
InChIKeyIVUZZGZAKBPNAE-UHFFFAOYSA-N
XLogP0.22
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The IUPAC name of 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile (CID 58655889) is 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The canonical SMILES for 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile is N#Cc1[nH]nc2ncncc12.
What is the InChIKey of 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The InChIKey is IVUZZGZAKBPNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5/c7-1-5-4-2-8-3-9-6(4)11-10-5/h2-3H,(H,8,9,10,11).
What are the key properties of 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile has a molecular weight of 145.12 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile is sourced from PubChem (CID 58655889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).