1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine

C6H9N3 — CID 69443127

IUPAC1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine
SMILESC1=CNC2CN=CN2C1
InChIInChI=1S/C6H9N3/c1-2-8-6-4-7-5-9(6)3-1/h1-2,5-6,8H,3-4H2
InChIKeyOWYSGCQFEUZBBR-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.23
Rot. Bonds

About 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine

1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine (PubChem CID 69443127) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine
PubChem CID69443127
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine
SMILESC1=CNC2CN=CN2C1
InChIInChI=1S/C6H9N3/c1-2-8-6-4-7-5-9(6)3-1/h1-2,5-6,8H,3-4H2
InChIKeyOWYSGCQFEUZBBR-UHFFFAOYSA-N
XLogP-0.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine?
The IUPAC name of 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine (CID 69443127) is 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine.
What is the SMILES notation for 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine?
The canonical SMILES for 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine is C1=CNC2CN=CN2C1.
What is the InChIKey of 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine?
The InChIKey is OWYSGCQFEUZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-8-6-4-7-5-9(6)3-1/h1-2,5-6,8H,3-4H2.
What are the key properties of 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine?
1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine has a molecular weight of 123.16 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,8a-tetrahydroimidazo[1,5-a]pyrimidine is sourced from PubChem (CID 69443127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).