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

C12H16N6O — CID 90372714

IUPAC4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine
SMILESCc1nonc1N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C12H16N6O/c1-9-12(16-19-15-9)18-6-4-17(5-7-18)11-2-3-14-8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKeyYUROTGIVVOJQLU-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.68
Rot. Bonds2

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

4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine (PubChem CID 90372714) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine
PubChem CID90372714
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine
SMILESCc1nonc1N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C12H16N6O/c1-9-12(16-19-15-9)18-6-4-17(5-7-18)11-2-3-14-8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKeyYUROTGIVVOJQLU-UHFFFAOYSA-N
XLogP0.68
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
CID 79688892
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 62959098
ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
CID 43462466
4-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine
CID 43585737
[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium
CID 147121078
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane
CID 144642147
5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979394
4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine
CID 60859911
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818622

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine (CID 90372714) is 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine is Cc1nonc1N1CCN(c2ccncc2N)CC1.
What is the InChIKey of 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is YUROTGIVVOJQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-12(16-19-15-9)18-6-4-17(5-7-18)11-2-3-14-8-10(11)13/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine?
4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 260.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 90372714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).