3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine

C10H12N4O — CID 106659554

IUPAC3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2ccncc2)n1
InChIInChI=1S/C10H12N4O/c1-7(9-3-5-11-6-4-9)12-10-13-8(2)14-15-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyCBPFAPQOGVKXRZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.95
Rot. Bonds3

About 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine

3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 106659554) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
PubChem CID106659554
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2ccncc2)n1
InChIInChI=1S/C10H12N4O/c1-7(9-3-5-11-6-4-9)12-10-13-8(2)14-15-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyCBPFAPQOGVKXRZ-UHFFFAOYSA-N
XLogP1.95
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106214197
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80906911
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 102677428
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659641
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
CID 106659529
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine (CID 106659554) is 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)c2ccncc2)n1.
What is the InChIKey of 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is CBPFAPQOGVKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(9-3-5-11-6-4-9)12-10-13-8(2)14-15-10/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 204.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).