5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

C13H19N5O — CID 106961036

IUPAC5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCc2ccc(C)nc2)o1
InChIInChI=1S/C13H19N5O/c1-4-14-10(3)12-17-18-13(19-12)16-8-11-6-5-9(2)15-7-11/h5-7,10,14H,4,8H2,1-3H3,(H,16,18)
InChIKeyPEIYVCSMFSUJBO-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.06
Rot. Bonds6

About 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961036) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961036
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCc2ccc(C)nc2)o1
InChIInChI=1S/C13H19N5O/c1-4-14-10(3)12-17-18-13(19-12)16-8-11-6-5-9(2)15-7-11/h5-7,10,14H,4,8H2,1-3H3,(H,16,18)
InChIKeyPEIYVCSMFSUJBO-UHFFFAOYSA-N
XLogP2.06
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
5-[1-(ethylamino)ethyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966363
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 84596399
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106379121
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
N-(2,3-dimethylphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967995
5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104753454
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106961036) is 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NCc2ccc(C)nc2)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PEIYVCSMFSUJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-14-10(3)12-17-18-13(19-12)16-8-11-6-5-9(2)15-7-11/h5-7,10,14H,4,8H2,1-3H3,(H,16,18).
What are the key properties of 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).