3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine

C13H14N6O — CID 84597017

IUPAC3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cn(C)nc2-c2ccncc2)n1
InChIInChI=1S/C13H14N6O/c1-9-16-13(20-18-9)15-7-11-8-19(2)17-12(11)10-3-5-14-6-4-10/h3-6,8H,7H2,1-2H3,(H,15,16,18)
InChIKeyDXJZKRKHFLAPFN-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.79
Rot. Bonds4

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

3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 84597017) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID84597017
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cn(C)nc2-c2ccncc2)n1
InChIInChI=1S/C13H14N6O/c1-9-16-13(20-18-9)15-7-11-8-19(2)17-12(11)10-3-5-14-6-4-10/h3-6,8H,7H2,1-2H3,(H,15,16,18)
InChIKeyDXJZKRKHFLAPFN-UHFFFAOYSA-N
XLogP1.79
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 84597017) is 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2cn(C)nc2-c2ccncc2)n1.
What is the InChIKey of 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is DXJZKRKHFLAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-9-16-13(20-18-9)15-7-11-8-19(2)17-12(11)10-3-5-14-6-4-10/h3-6,8H,7H2,1-2H3,(H,15,16,18).
What are the key properties of 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 270.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 84597017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).