6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C12H16N6O — CID 116807815

IUPAC6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN1CCN(c2noc(-c3cccc(N)n3)n2)CC1
InChIInChI=1S/C12H16N6O/c1-17-5-7-18(8-6-17)12-15-11(19-16-12)9-3-2-4-10(13)14-9/h2-4H,5-8H2,1H3,(H2,13,14)
InChIKeySFDFANYQCZGKAE-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.47
Rot. Bonds2

About 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 116807815) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID116807815
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN1CCN(c2noc(-c3cccc(N)n3)n2)CC1
InChIInChI=1S/C12H16N6O/c1-17-5-7-18(8-6-17)12-15-11(19-16-12)9-3-2-4-10(13)14-9/h2-4H,5-8H2,1H3,(H2,13,14)
InChIKeySFDFANYQCZGKAE-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852
1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116807673
4-(6-amino-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 66836665
2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116807771
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527061
(R)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898845
(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898844
3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807548
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116701531
3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 155948851
3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 146552480

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 116807815) is 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CN1CCN(c2noc(-c3cccc(N)n3)n2)CC1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is SFDFANYQCZGKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17-5-7-18(8-6-17)12-15-11(19-16-12)9-3-2-4-10(13)14-9/h2-4H,5-8H2,1H3,(H2,13,14).
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 116807815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).