N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine

C7H14N4O — CID 116799690

IUPACN,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCNC(C)c1nc(N(C)C)no1
InChIInChI=1S/C7H14N4O/c1-5(8-2)6-9-7(10-12-6)11(3)4/h5,8H,1-4H3
InChIKeyBVVXZXZNGWPOQD-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.42
Rot. Bonds3

About N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine (PubChem CID 116799690) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
PubChem CID116799690
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCNC(C)c1nc(N(C)C)no1
InChIInChI=1S/C7H14N4O/c1-5(8-2)6-9-7(10-12-6)11(3)4/h5,8H,1-4H3
InChIKeyBVVXZXZNGWPOQD-UHFFFAOYSA-N
XLogP0.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116799569
N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
CID 116799810
5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753218
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 103822508
N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824
(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837369
N-ethyl-N-methyl-5-[1-(propylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116809420
N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081238
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130563986
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine (CID 116799690) is N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine is CNC(C)c1nc(N(C)C)no1.
What is the InChIKey of N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is BVVXZXZNGWPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(8-2)6-9-7(10-12-6)11(3)4/h5,8H,1-4H3.
What are the key properties of N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).