6-benzyl-1,3,5-triazine-2,4-diamine

C10H11N5 — CID 15819

IUPAC6-benzyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2ccccc2)n1
InChIInChI=1S/C10H11N5/c11-9-13-8(14-10(12)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,13,14,15)
InChIKeyGNOXQMPUXDWYPS-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.63
Rot. Bonds2

About 6-benzyl-1,3,5-triazine-2,4-diamine

6-benzyl-1,3,5-triazine-2,4-diamine (PubChem CID 15819) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-benzyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-benzyl-1,3,5-triazine-2,4-diamine
PubChem CID15819
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name6-benzyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2ccccc2)n1
InChIInChI=1S/C10H11N5/c11-9-13-8(14-10(12)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,13,14,15)
InChIKeyGNOXQMPUXDWYPS-UHFFFAOYSA-N
XLogP0.63
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-benzyl-1,3,5-triazine-2,4-diamine (CID 15819) is 6-benzyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-benzyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-benzyl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Cc2ccccc2)n1.
What is the InChIKey of 6-benzyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GNOXQMPUXDWYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-9-13-8(14-10(12)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,13,14,15).
What are the key properties of 6-benzyl-1,3,5-triazine-2,4-diamine?
6-benzyl-1,3,5-triazine-2,4-diamine has a molecular weight of 201.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).