2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine

C8H9N3 — CID 176758475

IUPAC2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine
SMILESCc1nc(C)n2cccc2n1
InChIInChI=1S/C8H9N3/c1-6-9-7(2)11-5-3-4-8(11)10-6/h3-5H,1-2H3
InChIKeyAUKPDTGYZBIICP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.35
Rot. Bonds

About 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine

2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine (PubChem CID 176758475) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine
PubChem CID176758475
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine
SMILESCc1nc(C)n2cccc2n1
InChIInChI=1S/C8H9N3/c1-6-9-7(2)11-5-3-4-8(11)10-6/h3-5H,1-2H3
InChIKeyAUKPDTGYZBIICP-UHFFFAOYSA-N
XLogP1.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine?
The IUPAC name of 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine (CID 176758475) is 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine.
What is the SMILES notation for 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine?
The canonical SMILES for 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine is Cc1nc(C)n2cccc2n1.
What is the InChIKey of 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine?
The InChIKey is AUKPDTGYZBIICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-9-7(2)11-5-3-4-8(11)10-6/h3-5H,1-2H3.
What are the key properties of 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine?
2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine has a molecular weight of 147.18 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine is sourced from PubChem (CID 176758475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).