3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine

C18H18N4 — CID 6404615

IUPAC3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H18N4/c1-13(2)19-18-16(14-9-5-3-6-10-14)21-22-17(20-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,19,20,22)
InChIKeyGEDUHPXHVXGKPO-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.03
Rot. Bonds4

About 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine

3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 6404615) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID6404615
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H18N4/c1-13(2)19-18-16(14-9-5-3-6-10-14)21-22-17(20-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,19,20,22)
InChIKeyGEDUHPXHVXGKPO-UHFFFAOYSA-N
XLogP4.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine (CID 6404615) is 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine is CC(C)Nc1nc(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is GEDUHPXHVXGKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13(2)19-18-16(14-9-5-3-6-10-14)21-22-17(20-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,19,20,22).
What are the key properties of 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine?
3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 290.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-N-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6404615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).