2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine

C11H15N3 — CID 134317961

IUPAC2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine
SMILESCc1nc(C)n2c(C)c(C)c(C)c2n1
InChIInChI=1S/C11H15N3/c1-6-7(2)11-13-9(4)12-10(5)14(11)8(6)3/h1-5H3
InChIKeyXZRBEMHQWTUQEX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds

About 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine

2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine (PubChem CID 134317961) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine
PubChem CID134317961
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine
SMILESCc1nc(C)n2c(C)c(C)c(C)c2n1
InChIInChI=1S/C11H15N3/c1-6-7(2)11-13-9(4)12-10(5)14(11)8(6)3/h1-5H3
InChIKeyXZRBEMHQWTUQEX-UHFFFAOYSA-N
XLogP2.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine?
The IUPAC name of 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine (CID 134317961) is 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine.
What is the SMILES notation for 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine?
The canonical SMILES for 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine is Cc1nc(C)n2c(C)c(C)c(C)c2n1.
What is the InChIKey of 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine?
The InChIKey is XZRBEMHQWTUQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-6-7(2)11-13-9(4)12-10(5)14(11)8(6)3/h1-5H3.
What are the key properties of 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine?
2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine has a molecular weight of 189.26 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7,8-pentamethylpyrrolo[1,2-a][1,3,5]triazine is sourced from PubChem (CID 134317961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).