N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine

C13H12N6O — CID 91773380

IUPACN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(CCNc3ncncn3)no2)cc1
InChIInChI=1S/C13H12N6O/c1-2-4-10(5-3-1)12-18-11(19-20-12)6-7-15-13-16-8-14-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)
InChIKeyVOCGXNBUPQDYFT-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine

N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 91773380) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID91773380
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(CCNc3ncncn3)no2)cc1
InChIInChI=1S/C13H12N6O/c1-2-4-10(5-3-1)12-18-11(19-20-12)6-7-15-13-16-8-14-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)
InChIKeyVOCGXNBUPQDYFT-UHFFFAOYSA-N
XLogP1.58
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine (CID 91773380) is N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine is c1ccc(-c2nc(CCNc3ncncn3)no2)cc1.
What is the InChIKey of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is VOCGXNBUPQDYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-2-4-10(5-3-1)12-18-11(19-20-12)6-7-15-13-16-8-14-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17).
What are the key properties of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 91773380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).