2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C11H10N6O — CID 104743010

IUPAC2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCn1ccc(-c2noc(-c3ncccc3N)n2)n1
InChIInChI=1S/C11H10N6O/c1-17-6-4-8(15-17)10-14-11(18-16-10)9-7(12)3-2-5-13-9/h2-6H,12H2,1H3
InChIKeyDUZJRIHQVDTVNW-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.11
Rot. Bonds2

About 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 104743010) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID104743010
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCn1ccc(-c2noc(-c3ncccc3N)n2)n1
InChIInChI=1S/C11H10N6O/c1-17-6-4-8(15-17)10-14-11(18-16-10)9-7(12)3-2-5-13-9/h2-6H,12H2,1H3
InChIKeyDUZJRIHQVDTVNW-UHFFFAOYSA-N
XLogP1.11
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 113447849
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329336
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949607
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 136984510
2-bromo-6-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196260
2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743094
(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899796
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 104743010) is 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Cn1ccc(-c2noc(-c3ncccc3N)n2)n1.
What is the InChIKey of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is DUZJRIHQVDTVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-17-6-4-8(15-17)10-14-11(18-16-10)9-7(12)3-2-5-13-9/h2-6H,12H2,1H3.
What are the key properties of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 242.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 104743010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).