2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine

C14H12N4 — CID 145083150

IUPAC2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
SMILESCc1nc(C2=CCN=C2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c1-10-16-13(11-5-3-2-4-6-11)18-14(17-10)12-7-8-15-9-12/h2-7,9H,8H2,1H3
InChIKeySTXRKYGYOJWVLP-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine

2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine (PubChem CID 145083150) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
PubChem CID145083150
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
SMILESCc1nc(C2=CCN=C2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c1-10-16-13(11-5-3-2-4-6-11)18-14(17-10)12-7-8-15-9-12/h2-7,9H,8H2,1H3
InChIKeySTXRKYGYOJWVLP-UHFFFAOYSA-N
XLogP2.31
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine (CID 145083150) is 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine is Cc1nc(C2=CCN=C2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
The InChIKey is STXRKYGYOJWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-10-16-13(11-5-3-2-4-6-11)18-14(17-10)12-7-8-15-9-12/h2-7,9H,8H2,1H3.
What are the key properties of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine has a molecular weight of 236.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine is sourced from PubChem (CID 145083150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).