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

C12H10N6O — CID 55169572

IUPAC3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(Cc2ccncc2)no1
InChIInChI=1S/C12H10N6O/c13-11-10(15-5-6-16-11)12-17-9(18-19-12)7-8-1-3-14-4-2-8/h1-6H,7H2,(H2,13,16)
InChIKeyLBTNMRZAFARRCP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.09
Rot. Bonds3

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

3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 55169572) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID55169572
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(Cc2ccncc2)no1
InChIInChI=1S/C12H10N6O/c13-11-10(15-5-6-16-11)12-17-9(18-19-12)7-8-1-3-14-4-2-8/h1-6H,7H2,(H2,13,16)
InChIKeyLBTNMRZAFARRCP-UHFFFAOYSA-N
XLogP1.09
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 63260255
3-fluoro-4-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795420
3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 55169574
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 65133735
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62808217
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 136984377
4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011359
4-[[5-(3-prop-2-enoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 167775311
[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63630049
3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63770981
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742941

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 55169572) is 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is Nc1nccnc1-c1nc(Cc2ccncc2)no1.
What is the InChIKey of 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is LBTNMRZAFARRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-11-10(15-5-6-16-11)12-17-9(18-19-12)7-8-1-3-14-4-2-8/h1-6H,7H2,(H2,13,16).
What are the key properties of 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 254.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 55169572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).