2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C18H16N8O — CID 66802718

IUPAC2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)n1
InChIInChI=1S/C18H16N8O/c1-11-7-6-10-13(20-11)16-21-15(25-27-16)14-22-17(19)24-18(23-14)26(2)12-8-4-3-5-9-12/h3-10H,1-2H3,(H2,19,22,23,24)
InChIKeyMLROUHPWQWAZMB-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.64
Rot. Bonds4

About 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 66802718) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID66802718
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)n1
InChIInChI=1S/C18H16N8O/c1-11-7-6-10-13(20-11)16-21-15(25-27-16)14-22-17(19)24-18(23-14)26(2)12-8-4-3-5-9-12/h3-10H,1-2H3,(H2,19,22,23,24)
InChIKeyMLROUHPWQWAZMB-UHFFFAOYSA-N
XLogP2.64
TPSA119.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 66802718) is 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1cccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)n1.
What is the InChIKey of 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MLROUHPWQWAZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-11-7-6-10-13(20-11)16-21-15(25-27-16)14-22-17(19)24-18(23-14)26(2)12-8-4-3-5-9-12/h3-10H,1-2H3,(H2,19,22,23,24).
What are the key properties of 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 360.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66802718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).