2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride

C16H23Cl2N5O — CID 119900239

IUPAC2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-2-14-19-16-13(4-3-9-21(16)20-14)18-15(22)10-11-5-7-12(17)8-6-11;;/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,22);2*1H
InChIKeyOONDSURILGESNH-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride

2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride (PubChem CID 119900239) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride
PubChem CID119900239
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride
SMILESCCc1nc2n(n1)CCCC2NC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-2-14-19-16-13(4-3-9-21(16)20-14)18-15(22)10-11-5-7-12(17)8-6-11;;/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,22);2*1H
InChIKeyOONDSURILGESNH-UHFFFAOYSA-N
XLogP2.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride (CID 119900239) is 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride is CCc1nc2n(n1)CCCC2NC(=O)Cc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride?
The InChIKey is OONDSURILGESNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-2-14-19-16-13(4-3-9-21(16)20-14)18-15(22)10-11-5-7-12(17)8-6-11;;/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,22);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride?
2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119900239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).