N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine

C18H18N4 — CID 6403262

IUPACN,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine
SMILESCc1ccc(-c2nnc(-c3ccccc3)nc2N(C)C)cc1
InChIInChI=1S/C18H18N4/c1-13-9-11-14(12-10-13)16-18(22(2)3)19-17(21-20-16)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyNGMLCCIQFIBNSG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.58
Rot. Bonds3

About N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine

N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine (PubChem CID 6403262) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine
PubChem CID6403262
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine
SMILESCc1ccc(-c2nnc(-c3ccccc3)nc2N(C)C)cc1
InChIInChI=1S/C18H18N4/c1-13-9-11-14(12-10-13)16-18(22(2)3)19-17(21-20-16)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyNGMLCCIQFIBNSG-UHFFFAOYSA-N
XLogP3.58
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine (CID 6403262) is N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine is Cc1ccc(-c2nnc(-c3ccccc3)nc2N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine?
The InChIKey is NGMLCCIQFIBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-9-11-14(12-10-13)16-18(22(2)3)19-17(21-20-16)15-7-5-4-6-8-15/h4-12H,1-3H3.
What are the key properties of N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine?
N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine has a molecular weight of 290.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6403262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).