(4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine

C17H27N5O — CID 95779923

IUPAC(4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCn1ncc2c1CCC[C@@H]2N[C@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H27N5O/c1-6-22-14-9-7-8-13(12(14)10-18-22)19-11(2)15-20-16(21-23-15)17(3,4)5/h10-11,13,19H,6-9H2,1-5H3/t11-,13+/m1/s1
InChIKeyRHLXREACPNOSPB-YPMHNXCESA-N
MW317.44 g/mol
LogP3.31
Rot. Bonds4

About (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 95779923) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID95779923
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCn1ncc2c1CCC[C@@H]2N[C@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H27N5O/c1-6-22-14-9-7-8-13(12(14)10-18-22)19-11(2)15-20-16(21-23-15)17(3,4)5/h10-11,13,19H,6-9H2,1-5H3/t11-,13+/m1/s1
InChIKeyRHLXREACPNOSPB-YPMHNXCESA-N
XLogP3.31
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 95779923) is (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine is CCn1ncc2c1CCC[C@@H]2N[C@H](C)c1nc(C(C)(C)C)no1.
What is the InChIKey of (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is RHLXREACPNOSPB-YPMHNXCESA-N. The full InChI is InChI=1S/C17H27N5O/c1-6-22-14-9-7-8-13(12(14)10-18-22)19-11(2)15-20-16(21-23-15)17(3,4)5/h10-11,13,19H,6-9H2,1-5H3/t11-,13+/m1/s1.
What are the key properties of (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 317.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 95779923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).