imidazo[1,5-a][1,3,5]triazine-2-carbonitrile

C6H3N5 — CID 89386874

IUPACimidazo[1,5-a][1,3,5]triazine-2-carbonitrile
SMILESN#Cc1ncn2cncc2n1
InChIInChI=1S/C6H3N5/c7-1-5-9-4-11-3-8-2-6(11)10-5/h2-4H
InChIKeyPZSOBDIEFJGZBQ-UHFFFAOYSA-N
MW145.12 g/mol
LogP-0.00
Rot. Bonds

About imidazo[1,5-a][1,3,5]triazine-2-carbonitrile

imidazo[1,5-a][1,3,5]triazine-2-carbonitrile (PubChem CID 89386874) has the molecular formula C6H3N5 and a molecular weight of 145.12 g/mol. Its IUPAC name is imidazo[1,5-a][1,3,5]triazine-2-carbonitrile.

Molecular Properties

Compound Nameimidazo[1,5-a][1,3,5]triazine-2-carbonitrile
PubChem CID89386874
Molecular FormulaC6H3N5
Molecular Weight145.12 g/mol
Exact Mass145.04
IUPAC Nameimidazo[1,5-a][1,3,5]triazine-2-carbonitrile
SMILESN#Cc1ncn2cncc2n1
InChIInChI=1S/C6H3N5/c7-1-5-9-4-11-3-8-2-6(11)10-5/h2-4H
InChIKeyPZSOBDIEFJGZBQ-UHFFFAOYSA-N
XLogP-0.00
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a][1,3,5]triazine-2-carbonitrile?
The IUPAC name of imidazo[1,5-a][1,3,5]triazine-2-carbonitrile (CID 89386874) is imidazo[1,5-a][1,3,5]triazine-2-carbonitrile.
What is the SMILES notation for imidazo[1,5-a][1,3,5]triazine-2-carbonitrile?
The canonical SMILES for imidazo[1,5-a][1,3,5]triazine-2-carbonitrile is N#Cc1ncn2cncc2n1.
What is the InChIKey of imidazo[1,5-a][1,3,5]triazine-2-carbonitrile?
The InChIKey is PZSOBDIEFJGZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5/c7-1-5-9-4-11-3-8-2-6(11)10-5/h2-4H.
What are the key properties of imidazo[1,5-a][1,3,5]triazine-2-carbonitrile?
imidazo[1,5-a][1,3,5]triazine-2-carbonitrile has a molecular weight of 145.12 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a][1,3,5]triazine-2-carbonitrile is sourced from PubChem (CID 89386874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).