338418-82-9
Product Name:
6-AMINO-1-(4-CHLOROPHENYL)-2-OXO-4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,2-DIHYDRO-5-PYRIMIDINECARBONITRILE
Formula:
C14H10ClN7O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 327.73 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 327.0635357 g/mol |
| Monoisotopic Mass | 327.0635357 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 600 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile is a pyrimidone, a member of triazoles, a nitrile and a member of monochlorobenzenes.