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

C5H4N4 — CID 45087074

IUPACimidazo[1,5-a][1,3,5]triazine
SMILESc1ncn2cncc2n1
InChIInChI=1S/C5H4N4/c1-5-8-2-7-4-9(5)3-6-1/h1-4H
InChIKeyVRRRECCAQSEOFH-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.12
Rot. Bonds

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

imidazo[1,5-a][1,3,5]triazine (PubChem CID 45087074) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is imidazo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Nameimidazo[1,5-a][1,3,5]triazine
PubChem CID45087074
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Nameimidazo[1,5-a][1,3,5]triazine
SMILESc1ncn2cncc2n1
InChIInChI=1S/C5H4N4/c1-5-8-2-7-4-9(5)3-6-1/h1-4H
InChIKeyVRRRECCAQSEOFH-UHFFFAOYSA-N
XLogP0.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a][1,3,5]triazine?
The IUPAC name of imidazo[1,5-a][1,3,5]triazine (CID 45087074) is imidazo[1,5-a][1,3,5]triazine.
What is the SMILES notation for imidazo[1,5-a][1,3,5]triazine?
The canonical SMILES for imidazo[1,5-a][1,3,5]triazine is c1ncn2cncc2n1.
What is the InChIKey of imidazo[1,5-a][1,3,5]triazine?
The InChIKey is VRRRECCAQSEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-5-8-2-7-4-9(5)3-6-1/h1-4H.
What are the key properties of imidazo[1,5-a][1,3,5]triazine?
imidazo[1,5-a][1,3,5]triazine has a molecular weight of 120.11 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 45087074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).