N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine

C10H17N7OS — CID 56824775

IUPACN,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCc1noc(C(C)Sc2nnnn2CCN(C)C)n1
InChIInChI=1S/C10H17N7OS/c1-7(9-11-8(2)13-18-9)19-10-12-14-15-17(10)6-5-16(3)4/h7H,5-6H2,1-4H3
InChIKeyZUOZJXZURGGGEP-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.78
Rot. Bonds6

About N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine

N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 56824775) has the molecular formula C10H17N7OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID56824775
Molecular FormulaC10H17N7OS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC NameN,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCc1noc(C(C)Sc2nnnn2CCN(C)C)n1
InChIInChI=1S/C10H17N7OS/c1-7(9-11-8(2)13-18-9)19-10-12-14-15-17(10)6-5-16(3)4/h7H,5-6H2,1-4H3
InChIKeyZUOZJXZURGGGEP-UHFFFAOYSA-N
XLogP0.78
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine (CID 56824775) is N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine is Cc1noc(C(C)Sc2nnnn2CCN(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is ZUOZJXZURGGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7OS/c1-7(9-11-8(2)13-18-9)19-10-12-14-15-17(10)6-5-16(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 283.36 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 56824775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).