N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C19H22F3N9O2 — CID 174081356

IUPACN-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILES[H]/N=C(/C=C\C(=N\[H])NC(=O)Cn1nc(C(C)C)n2nc(C3CC3)cc2c1=O)\N=C(/N)C(F)(F)F
InChIInChI=1S/C19H22F3N9O2/c1-9(2)16-29-30(17(33)12-7-11(10-3-4-10)28-31(12)16)8-15(32)26-13(23)5-6-14(24)27-18(25)19(20,21)22/h5-7,9-10H,3-4,8H2,1-2H3,(H2,23,26,32)(H3,24,25,27)/b6-5-
InChIKeySAQQLKTZXLNCAD-WAYWQWQTSA-N
MW465.44 g/mol
LogP1.44
Rot. Bonds6

About N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 174081356) has the molecular formula C19H22F3N9O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID174081356
Molecular FormulaC19H22F3N9O2
Molecular Weight465.44 g/mol
Exact Mass465.18
IUPAC NameN-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILES[H]/N=C(/C=C\C(=N\[H])NC(=O)Cn1nc(C(C)C)n2nc(C3CC3)cc2c1=O)\N=C(/N)C(F)(F)F
InChIInChI=1S/C19H22F3N9O2/c1-9(2)16-29-30(17(33)12-7-11(10-3-4-10)28-31(12)16)8-15(32)26-13(23)5-6-14(24)27-18(25)19(20,21)22/h5-7,9-10H,3-4,8H2,1-2H3,(H2,23,26,32)(H3,24,25,27)/b6-5-
InChIKeySAQQLKTZXLNCAD-WAYWQWQTSA-N
XLogP1.44
TPSA167.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 174081356) is N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is [H]/N=C(/C=C\C(=N\[H])NC(=O)Cn1nc(C(C)C)n2nc(C3CC3)cc2c1=O)\N=C(/N)C(F)(F)F.
What is the InChIKey of N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is SAQQLKTZXLNCAD-WAYWQWQTSA-N. The full InChI is InChI=1S/C19H22F3N9O2/c1-9(2)16-29-30(17(33)12-7-11(10-3-4-10)28-31(12)16)8-15(32)26-13(23)5-6-14(24)27-18(25)19(20,21)22/h5-7,9-10H,3-4,8H2,1-2H3,(H2,23,26,32)(H3,24,25,27)/b6-5-.
What are the key properties of N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 465.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[(1-amino-2,2,2-trifluoroethylidene)amino]-4-iminobut-2-enimidoyl]-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 174081356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).