6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine

C15H18N4 — CID 6404621

IUPAC6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine
SMILESCc1ccc(-c2nnc(C)c(N3CCCC3)n2)cc1
InChIInChI=1S/C15H18N4/c1-11-5-7-13(8-6-11)14-16-15(12(2)17-18-14)19-9-3-4-10-19/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAZNBJOKJQYABOV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.76
Rot. Bonds2

About 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine

6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine (PubChem CID 6404621) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine
PubChem CID6404621
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine
SMILESCc1ccc(-c2nnc(C)c(N3CCCC3)n2)cc1
InChIInChI=1S/C15H18N4/c1-11-5-7-13(8-6-11)14-16-15(12(2)17-18-14)19-9-3-4-10-19/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAZNBJOKJQYABOV-UHFFFAOYSA-N
XLogP2.76
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine (CID 6404621) is 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine is Cc1ccc(-c2nnc(C)c(N3CCCC3)n2)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine?
The InChIKey is AZNBJOKJQYABOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-5-7-13(8-6-11)14-16-15(12(2)17-18-14)19-9-3-4-10-19/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine?
6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine has a molecular weight of 254.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 6404621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).