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

C11H15N5O — CID 106963296

IUPAC5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(CN(C)c2nnc(CN)o2)n1
InChIInChI=1S/C11H15N5O/c1-8-4-3-5-9(13-8)7-16(2)11-15-14-10(6-12)17-11/h3-5H,6-7,12H2,1-2H3
InChIKeyOPUGMSLAPHMQQE-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.87
Rot. Bonds4

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

5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963296) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963296
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(CN(C)c2nnc(CN)o2)n1
InChIInChI=1S/C11H15N5O/c1-8-4-3-5-9(13-8)7-16(2)11-15-14-10(6-12)17-11/h3-5H,6-7,12H2,1-2H3
InChIKeyOPUGMSLAPHMQQE-UHFFFAOYSA-N
XLogP0.87
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106958149
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethenamine
CID 167486636
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106963020
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 79267976
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969217
5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 66904637
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
CID 79267944
N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 104822388
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 83155755

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106963296) is 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cccc(CN(C)c2nnc(CN)o2)n1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OPUGMSLAPHMQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-4-3-5-9(13-8)7-16(2)11-15-14-10(6-12)17-11/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 233.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).