2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C17H18N6 — CID 12655286

IUPAC2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H18N6/c1-11-3-7-13(8-4-11)19-16-21-15(18)22-17(23-16)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H4,18,19,20,21,22,23)
InChIKeyZAOAABYOMVFNLJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.56
Rot. Bonds4

About 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 12655286) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID12655286
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H18N6/c1-11-3-7-13(8-4-11)19-16-21-15(18)22-17(23-16)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H4,18,19,20,21,22,23)
InChIKeyZAOAABYOMVFNLJ-UHFFFAOYSA-N
XLogP3.56
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 12655286) is 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is Cc1ccc(Nc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZAOAABYOMVFNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-11-3-7-13(8-4-11)19-16-21-15(18)22-17(23-16)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H4,18,19,20,21,22,23).
What are the key properties of 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 12655286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).