4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile

C12H7N5 — CID 13117358

IUPAC4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile
SMILESN#Cc1ncn2c(-c3cccnc3)ccnc12
InChIInChI=1S/C12H7N5/c13-6-10-12-15-5-3-11(17(12)8-16-10)9-2-1-4-14-7-9/h1-5,7-8H
InChIKeySJNLHGBEDHKFAA-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.66
Rot. Bonds1

About 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile

4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile (PubChem CID 13117358) has the molecular formula C12H7N5 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile
PubChem CID13117358
Molecular FormulaC12H7N5
Molecular Weight221.22 g/mol
Exact Mass221.07
IUPAC Name4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile
SMILESN#Cc1ncn2c(-c3cccnc3)ccnc12
InChIInChI=1S/C12H7N5/c13-6-10-12-15-5-3-11(17(12)8-16-10)9-2-1-4-14-7-9/h1-5,7-8H
InChIKeySJNLHGBEDHKFAA-UHFFFAOYSA-N
XLogP1.66
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile?
The IUPAC name of 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile (CID 13117358) is 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile.
What is the SMILES notation for 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile?
The canonical SMILES for 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile is N#Cc1ncn2c(-c3cccnc3)ccnc12.
What is the InChIKey of 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile?
The InChIKey is SJNLHGBEDHKFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5/c13-6-10-12-15-5-3-11(17(12)8-16-10)9-2-1-4-14-7-9/h1-5,7-8H.
What are the key properties of 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile?
4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile is sourced from PubChem (CID 13117358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).