4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine

C10H12ClN5O — CID 166432714

IUPAC4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine
SMILESNCCCc1noc(-c2cc(N)nc(Cl)c2)n1
InChIInChI=1S/C10H12ClN5O/c11-7-4-6(5-8(13)14-7)10-15-9(16-17-10)2-1-3-12/h4-5H,1-3,12H2,(H2,13,14)
InChIKeyXAUHMJVGIWHBAP-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.26
Rot. Bonds4

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

4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine (PubChem CID 166432714) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine
PubChem CID166432714
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine
SMILESNCCCc1noc(-c2cc(N)nc(Cl)c2)n1
InChIInChI=1S/C10H12ClN5O/c11-7-4-6(5-8(13)14-7)10-15-9(16-17-10)2-1-3-12/h4-5H,1-3,12H2,(H2,13,14)
InChIKeyXAUHMJVGIWHBAP-UHFFFAOYSA-N
XLogP1.26
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79206531
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 106855863
3-[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102222
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65095158
2-chloro-4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094389
2-chloro-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094898
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62921321
3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66120174
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79078348

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine?
The IUPAC name of 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine (CID 166432714) is 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine.
What is the SMILES notation for 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine?
The canonical SMILES for 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine is NCCCc1noc(-c2cc(N)nc(Cl)c2)n1.
What is the InChIKey of 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine?
The InChIKey is XAUHMJVGIWHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c11-7-4-6(5-8(13)14-7)10-15-9(16-17-10)2-1-3-12/h4-5H,1-3,12H2,(H2,13,14).
What are the key properties of 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine?
4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine has a molecular weight of 253.69 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine is sourced from PubChem (CID 166432714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).