N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H16ClN7O — CID 133295553

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCc2nc(-c3ccc(Cl)cc3)no2)n2ncnc2n1
InChIInChI=1S/C17H16ClN7O/c1-2-13-9-14(25-17(22-13)20-10-21-25)19-8-7-15-23-16(24-26-15)11-3-5-12(18)6-4-11/h3-6,9-10,19H,2,7-8H2,1H3
InChIKeyUVDGALYRRGFRRV-UHFFFAOYSA-N
MW369.82 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133295553) has the molecular formula C17H16ClN7O and a molecular weight of 369.82 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133295553
Molecular FormulaC17H16ClN7O
Molecular Weight369.82 g/mol
Exact Mass369.11
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCc2nc(-c3ccc(Cl)cc3)no2)n2ncnc2n1
InChIInChI=1S/C17H16ClN7O/c1-2-13-9-14(25-17(22-13)20-10-21-25)19-8-7-15-23-16(24-26-15)11-3-5-12(18)6-4-11/h3-6,9-10,19H,2,7-8H2,1H3
InChIKeyUVDGALYRRGFRRV-UHFFFAOYSA-N
XLogP3.04
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133465006
5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295621
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
CID 133295543
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55201837
5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 133284910
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]ethanamine
CID 166235155
(2S,3S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-3-methylpentanoic acid
CID 122100215
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111111918
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133295553) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCCc2nc(-c3ccc(Cl)cc3)no2)n2ncnc2n1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UVDGALYRRGFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O/c1-2-13-9-14(25-17(22-13)20-10-21-25)19-8-7-15-23-16(24-26-15)11-3-5-12(18)6-4-11/h3-6,9-10,19H,2,7-8H2,1H3.
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 369.82 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133295553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).