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

C17H20N8O — CID 66802904

IUPAC2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCNCC3)n2)n1
InChIInChI=1S/C17H20N8O/c1-25(12-5-3-2-4-6-12)17-22-13(21-16(18)23-17)14-20-15(26-24-14)11-7-9-19-10-8-11/h2-6,11,19H,7-10H2,1H3,(H2,18,21,22,23)
InChIKeyNLGZXVXCMISDPM-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.74
Rot. Bonds4

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

2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 66802904) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID66802904
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCNCC3)n2)n1
InChIInChI=1S/C17H20N8O/c1-25(12-5-3-2-4-6-12)17-22-13(21-16(18)23-17)14-20-15(26-24-14)11-7-9-19-10-8-11/h2-6,11,19H,7-10H2,1H3,(H2,18,21,22,23)
InChIKeyNLGZXVXCMISDPM-UHFFFAOYSA-N
XLogP1.74
TPSA118.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 66802904) is 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine is CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCNCC3)n2)n1.
What is the InChIKey of 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NLGZXVXCMISDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-25(12-5-3-2-4-6-12)17-22-13(21-16(18)23-17)14-20-15(26-24-14)11-7-9-19-10-8-11/h2-6,11,19H,7-10H2,1H3,(H2,18,21,22,23).
What are the key properties of 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 352.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-phenyl-6-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66802904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).