3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine

C8H11N5O — CID 106214197

IUPAC3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C8H11N5O/c1-5(7-3-9-10-4-7)11-8-12-6(2)13-14-8/h3-5H,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyQWGIALMDCVINKA-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.27
Rot. Bonds3

About 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106214197) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID106214197
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C8H11N5O/c1-5(7-3-9-10-4-7)11-8-12-6(2)13-14-8/h3-5H,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyQWGIALMDCVINKA-UHFFFAOYSA-N
XLogP1.27
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554
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-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazin-3-amine
CID 106214067
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
6-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,6-diamine
CID 106215688
3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 102677428
3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 106215673
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 103905105
2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 106214361

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 106214197) is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)c2cn[nH]c2)n1.
What is the InChIKey of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is QWGIALMDCVINKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(7-3-9-10-4-7)11-8-12-6(2)13-14-8/h3-5H,1-2H3,(H,9,10)(H,11,12,13).
What are the key properties of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 193.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106214197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).