N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

C13H21N7O — CID 106965107

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2nnc(CC)c(CC)n2)o1
InChIInChI=1S/C13H21N7O/c1-5-9-10(6-2)17-19-12(15-9)16-13-20-18-11(21-13)8(4)14-7-3/h8,14H,5-7H2,1-4H3,(H,15,16,19,20)
InChIKeyIDOLCVQJZRKHGU-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.79
Rot. Bonds7

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106965107) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106965107
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2nnc(CC)c(CC)n2)o1
InChIInChI=1S/C13H21N7O/c1-5-9-10(6-2)17-19-12(15-9)16-13-20-18-11(21-13)8(4)14-7-3/h8,14H,5-7H2,1-4H3,(H,15,16,19,20)
InChIKeyIDOLCVQJZRKHGU-UHFFFAOYSA-N
XLogP1.79
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine
CID 106965102
N-(2,3-dimethylphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967995
N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966631
N-(2,5-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966563
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
N-(2,4-dichlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966444
3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea
CID 106964060
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969735
5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
5-[1-(ethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967242
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106965107) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(Nc2nnc(CC)c(CC)n2)o1.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IDOLCVQJZRKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-5-9-10(6-2)17-19-12(15-9)16-13-20-18-11(21-13)8(4)14-7-3/h8,14H,5-7H2,1-4H3,(H,15,16,19,20).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 291.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).