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

C12H12N6O — CID 62552548

IUPAC1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(Cc3ccncc3)no2)c1
InChIInChI=1S/C12H12N6O/c13-10-6-15-18(7-10)8-12-16-11(17-19-12)5-9-1-3-14-4-2-9/h1-4,6-7H,5,8,13H2
InChIKeyNELJGTTUPYFVJZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.88
Rot. Bonds4

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

1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 62552548) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID62552548
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(Cc3ccncc3)no2)c1
InChIInChI=1S/C12H12N6O/c13-10-6-15-18(7-10)8-12-16-11(17-19-12)5-9-1-3-14-4-2-9/h1-4,6-7H,5,8,13H2
InChIKeyNELJGTTUPYFVJZ-UHFFFAOYSA-N
XLogP0.88
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62329913
1-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 82790118
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203
1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65130997
5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632012
1-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65140812
[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 121210194
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645
1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62551888
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
4-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889011
1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 63085525

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 62552548) is 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(Cc3ccncc3)no2)c1.
What is the InChIKey of 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is NELJGTTUPYFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-10-6-15-18(7-10)8-12-16-11(17-19-12)5-9-1-3-14-4-2-9/h1-4,6-7H,5,8,13H2.
What are the key properties of 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 256.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 62552548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).