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

C12H12N6O — CID 63840780

IUPAC1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCc1ccnc(-c2noc(-c3cnn(C)c3N)n2)c1
InChIInChI=1S/C12H12N6O/c1-7-3-4-14-9(5-7)11-16-12(19-17-11)8-6-15-18(2)10(8)13/h3-6H,13H2,1-2H3
InChIKeyISBWRGLLGBMRDR-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.42
Rot. Bonds2

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

1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (PubChem CID 63840780) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
PubChem CID63840780
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCc1ccnc(-c2noc(-c3cnn(C)c3N)n2)c1
InChIInChI=1S/C12H12N6O/c1-7-3-4-14-9(5-7)11-16-12(19-17-11)8-6-15-18(2)10(8)13/h3-6H,13H2,1-2H3
InChIKeyISBWRGLLGBMRDR-UHFFFAOYSA-N
XLogP1.42
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (CID 63840780) is 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is Cc1ccnc(-c2noc(-c3cnn(C)c3N)n2)c1.
What is the InChIKey of 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The InChIKey is ISBWRGLLGBMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7-3-4-14-9(5-7)11-16-12(19-17-11)8-6-15-18(2)10(8)13/h3-6H,13H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine has a molecular weight of 256.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is sourced from PubChem (CID 63840780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).