2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide

C20H20N6O — CID 99999473

IUPAC2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESO=C(Cn1ncc2ccccc21)N[C@H](CCn1cncn1)c1ccccc1
InChIInChI=1S/C20H20N6O/c27-20(13-26-19-9-5-4-8-17(19)12-22-26)24-18(16-6-2-1-3-7-16)10-11-25-15-21-14-23-25/h1-9,12,14-15,18H,10-11,13H2,(H,24,27)/t18-/m1/s1
InChIKeyDZPSHWLSYLZRDL-GOSISDBHSA-N
MW360.42 g/mol
LogP2.58
Rot. Bonds7

About 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide

2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide (PubChem CID 99999473) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
PubChem CID99999473
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESO=C(Cn1ncc2ccccc21)N[C@H](CCn1cncn1)c1ccccc1
InChIInChI=1S/C20H20N6O/c27-20(13-26-19-9-5-4-8-17(19)12-22-26)24-18(16-6-2-1-3-7-16)10-11-25-15-21-14-23-25/h1-9,12,14-15,18H,10-11,13H2,(H,24,27)/t18-/m1/s1
InChIKeyDZPSHWLSYLZRDL-GOSISDBHSA-N
XLogP2.58
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 4913132

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide (CID 99999473) is 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide is O=C(Cn1ncc2ccccc21)N[C@H](CCn1cncn1)c1ccccc1.
What is the InChIKey of 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The InChIKey is DZPSHWLSYLZRDL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(13-26-19-9-5-4-8-17(19)12-22-26)24-18(16-6-2-1-3-7-16)10-11-25-15-21-14-23-25/h1-9,12,14-15,18H,10-11,13H2,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 99999473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).